[
  {
    "name": [
      "Ni@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -0.69
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.21
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.11
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 1.08
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 8.87
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.67
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 7.73
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
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          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.25
      },
      {
        "element": "Ni",
        "idealAtomicPercent": 0.75
      }
    ]
  },
  {
    "name": [
      "Cu@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.63
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.25
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.05
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 1.13
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 10.94
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.67
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.73
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 1.0
      }
    ]
  },
  {
    "name": [
      "Pd@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.86
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.98
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.66
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 0.97
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.47
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 8.6
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.67
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.73
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.03
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.25
      },
      {
        "element": "Pd",
        "idealAtomicPercent": 0.75
      }
    ]
  },
  {
    "name": [
      "Ag@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ag"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.74
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.98
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.9
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 0.88
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.06
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 15.15
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.67
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.73
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.91
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.25
      },
      {
        "element": "Ag",
        "idealAtomicPercent": 0.75
      }
    ]
  },
  {
    "name": [
      "Ir@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ir"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.91
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.1
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.13
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.26
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 8.42
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.67
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.73
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.03
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.25
      },
      {
        "element": "Ir",
        "idealAtomicPercent": 0.75
      }
    ]
  },
  {
    "name": [
      "Pt@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pt"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.91
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.85
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.09
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.03
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 8.18
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.67
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.73
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.06
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.25
      },
      {
        "element": "Pt",
        "idealAtomicPercent": 0.75
      }
    ]
  },
  {
    "name": [
      "Au@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
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          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
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          },
          {
            "tags": "*",
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          }
        ]
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        "name": "Top monolayer formula",
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        "name": "Bulk formula",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
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          {
            "given": "Xianfeng",
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          {
            "given": "Zheng",
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            "given": "Luke E. K.",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
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        "volume": "6",
        "issue": "18",
        "year": "2015",
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          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
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          },
          {
            "given": "Luke E. K.",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
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          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
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          {
            "given": "Xianfeng",
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          },
          {
            "given": "Zheng",
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          },
          {
            "given": "Luke E. K.",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
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          },
          {
            "tags": "*",
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            "family": "Xin"
          }
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        "element": "Au",
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    "name": [
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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          "value": "Au"
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        "name": "Bulk formula",
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        "name": "Work function",
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        "name": "Ionization potential",
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        "name": "Electron affinity",
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        "name": "Pauling electronegativity",
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          "value": 2.54
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      },
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        "name": "Local Pauling electronegativity",
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Au",
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      {
        "element": "Cu",
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  },
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    "name": [
      "Pd@Au"
    ],
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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          "value": "Au"
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      },
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        "name": "Bulk formula",
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        "name": "Pauling electronegativity",
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        "element": "Pd",
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  },
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    "name": [
      "Ag@Au"
    ],
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
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            "tags": "*",
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            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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        "name": "Bulk formula",
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        "name": "Pauling electronegativity",
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        "name": "Local Pauling electronegativity",
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Au",
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        "element": "Ag",
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    "name": [
      "Ir@Au"
    ],
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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          "value": "Au"
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      },
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        "name": "Bulk formula",
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      },
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        "name": "Binding energy of adsorbed CO on a metal surface",
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        "name": "Pauling electronegativity",
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        "element": "Ir",
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    "name": [
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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          "value": "Au"
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      },
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        "name": "Bulk formula",
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      },
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        "name": "Binding energy of adsorbed CO on a metal surface",
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      },
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        "name": "Center of a d-band",
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          "value": -3.17
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      },
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        "name": "Width of a d-band",
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      },
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        "name": "Kurtosis of a d-band",
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      },
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        "name": "Work function",
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        "units": "eV",
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      },
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        "name": "Atomic radius",
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      },
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        "name": "Spatial extent of d-orbitals",
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        "name": "Ionization potential",
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        "units": "eV",
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        "name": "Pauling electronegativity",
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          "value": 2.54
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Local Pauling electronegativity",
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      },
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Au",
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      {
        "element": "Pt",
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    ]
  },
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    "name": [
      "Au@Au"
    ],
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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          "value": "Au"
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      },
      {
        "name": "Bulk formula",
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          "value": "Au"
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      },
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        "name": "Binding energy of adsorbed CO on a metal surface",
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        "units": "eV",
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      },
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      },
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        "name": "Center of a d-band",
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          "value": -3.18
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        "units": "eV",
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      },
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        "name": "Width of a d-band",
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      },
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      },
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        "name": "Kurtosis of a d-band",
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      },
      {
        "name": "Work function",
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      },
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        "name": "Atomic radius",
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        "units": "$\\AA$",
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        "name": "Ionization potential",
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        "name": "Electron affinity",
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        "units": "eV",
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      },
      {
        "name": "Pauling electronegativity",
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      },
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        "name": "Local Pauling electronegativity",
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      },
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "dataType": "COMPUTATIONAL"
      }
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    "composition": [
      {
        "element": "Au",
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    ]
  },
  {
    "name": [
      "Ni@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -1.52
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
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        "name": "Pauling electronegativity",
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        "name": "Local Pauling electronegativity",
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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      {
        "element": "Ni",
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  },
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    "name": [
      "Cu@Ni"
    ],
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
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            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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        "name": "Bulk formula",
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        "element": "Cu",
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    "name": [
      "Pd@Ni"
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
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            "tags": "*",
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            "family": "Xin"
          }
        ]
      }
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        "name": "Top monolayer formula",
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        "name": "Bulk formula",
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        "element": "Pd",
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    "name": [
      "Ag@Ni"
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
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          },
          {
            "tags": "*",
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            "family": "Xin"
          }
        ]
      }
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        "name": "Bulk formula",
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        "element": "Ag",
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    "name": [
      "Ir@Ni"
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
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        "name": "Top monolayer formula",
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      },
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        "name": "Bulk formula",
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        "name": "Pauling electronegativity",
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Ir",
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    ]
  },
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    "name": [
      "Pt@Ni"
    ],
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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          "value": "Ni"
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      },
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        "name": "Bulk formula",
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          "value": "Pt"
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      },
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        "name": "Binding energy of adsorbed CO on a metal surface",
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      },
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      },
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        "name": "Width of a d-band",
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          "value": 1.34
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        "name": "Pauling electronegativity",
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          "value": 1.91
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        "name": "Local Pauling electronegativity",
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Ni",
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      {
        "element": "Pt",
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    ]
  },
  {
    "name": [
      "Au@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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          "value": "Ni"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Au"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
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        "name": "Filling of a d-band",
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Center of a d-band",
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      },
      {
        "name": "Width of a d-band",
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          "value": 1.19
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        "name": "Pauling electronegativity",
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          "value": 1.91
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        "name": "Local Pauling electronegativity",
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          "value": 2.17
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Ni",
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      {
        "element": "Au",
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  },
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    "name": [
      "Cu@Pd"
    ],
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
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        "name": "Top monolayer formula",
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      },
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        "name": "Bulk formula",
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        "element": "Cu",
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    "name": [
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
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          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
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            "tags": "*",
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        ]
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        "name": "Bulk formula",
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        "name": "Pauling electronegativity",
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    "name": [
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
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        "name": "Bulk formula",
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    "name": [
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
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        "name": "Bulk formula",
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        "name": "Pauling electronegativity",
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      },
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        "name": "Local Pauling electronegativity",
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Ir",
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    "name": [
      "Pt@Pd"
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
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        "name": "Bulk formula",
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      },
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        "name": "Pauling electronegativity",
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      },
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        "name": "Local Pauling electronegativity",
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Pd",
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      {
        "element": "Pt",
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    ]
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  {
    "name": [
      "Au@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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      },
      {
        "name": "Bulk formula",
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        }
      },
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        "name": "Binding energy of adsorbed CO on a metal surface",
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      },
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      },
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        "name": "Center of a d-band",
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      },
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        "name": "Kurtosis of a d-band",
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        "dataType": "COMPUTATIONAL"
      },
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
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          {
            "given": "Xianfeng",
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            "given": "Zheng",
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            "given": "Luke E. K.",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
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          {
            "given": "Xianfeng",
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          {
            "given": "Zheng",
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            "given": "Luke E. K.",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
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        "volume": "6",
        "issue": "18",
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          {
            "given": "Xianfeng",
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          {
            "given": "Zheng",
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        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
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        "volume": "6",
        "issue": "18",
        "year": "2015",
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          {
            "given": "Xianfeng",
            "family": "Ma"
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          {
            "given": "Zheng",
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            "given": "Luke E. K.",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
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          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
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          }
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
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        "name": "Ionization potential",
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          "value": 9.0
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      },
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        "name": "Electron affinity",
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          "value": 2.13
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 2.28
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 2.39
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 3.9
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        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Pt",
        "idealAtomicPercent": 0.25
      },
      {
        "element": "Au",
        "idealAtomicPercent": 0.75
      }
    ]
  },
  {
    "name": [
      "Cu-Sc@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
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          "value": "Cu"
        }
      },
      {
        "name": "Second monolayer formula",
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          "value": "Sc"
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        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -0.63
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          "value": 0.97
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      },
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          "value": -2.72
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        "name": "Width of a d-band",
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        "name": "Skewness of a d-band ",
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          "value": 2.79
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        "name": "Kurtosis of a d-band",
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          "value": 16.86
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      },
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        "name": "Work function",
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          "value": 5.3
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        "units": "eV",
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        "name": "Atomic radius",
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          "value": 1.41
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        "units": "$\\AA$",
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        "name": "Spatial extent of d-orbitals",
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        "name": "Ionization potential",
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        "name": "Electron affinity",
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        "name": "Pauling electronegativity",
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          "value": 1.9
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 1.0
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      {
        "element": "Cu",
        "idealAtomicPercent": 0.75
      },
      {
        "element": "Sc",
        "idealAtomicPercent": 0.25
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    ]
  },
  {
    "name": [
      "Cu-Ti@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
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          "value": "Cu"
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      },
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        "name": "Bulk formula",
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          "value": "Cu"
        }
      },
      {
        "name": "Second monolayer formula",
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          "value": "Ti"
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        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -0.69
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        "units": "eV",
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      },
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        "name": "Filling of a d-band",
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          "value": 0.97
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      },
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        "name": "Center of a d-band",
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          "value": -2.83
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      },
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        "name": "Width of a d-band",
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          "value": 1.02
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        "name": "Skewness of a d-band ",
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          "value": 2.48
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Kurtosis of a d-band",
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          "value": 14.5
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      },
      {
        "name": "Work function",
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          "value": 5.3
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        "units": "eV",
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      },
      {
        "name": "Atomic radius",
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          "value": 1.41
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        "units": "$\\AA$",
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        "name": "Spatial extent of d-orbitals",
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        "name": "Ionization potential",
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        "name": "Electron affinity",
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          "value": 1.24
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        "units": "eV",
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      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.73
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 1.0
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        "dataType": "COMPUTATIONAL"
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      {
        "element": "Cu",
        "idealAtomicPercent": 0.75
      },
      {
        "element": "Ti",
        "idealAtomicPercent": 0.25
      }
    ]
  },
  {
    "name": [
      "Cu-V@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Second monolayer formula",
        "scalars": {
          "value": "V"
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      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -0.81
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
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        "name": "Filling of a d-band",
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          "value": 0.97
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Center of a d-band",
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          "value": -2.74
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        "name": "Width of a d-band",
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        "name": "Skewness of a d-band ",
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          "value": 2.12
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      },
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        "name": "Kurtosis of a d-band",
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      },
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        "name": "Work function",
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          "value": 5.3
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        "name": "Atomic radius",
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          "value": 1.41
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        "units": "$\\AA$",
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        "name": "Ionization potential",
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        "name": "Electron affinity",
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        "units": "eV",
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        "name": "Pauling electronegativity",
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          "value": 1.9
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Local Pauling electronegativity",
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 1.0
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        "dataType": "COMPUTATIONAL"
      }
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    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.75
      },
      {
        "element": "V",
        "idealAtomicPercent": 0.25
      }
    ]
  },
  {
    "name": [
      "Cu-Cr@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Second monolayer formula",
        "scalars": {
          "value": "Cr"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -1.17
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
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        "name": "Filling of a d-band",
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          "value": 0.97
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Center of a d-band",
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          "value": -2.59
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        "units": "eV",
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      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.1
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        "units": "eV",
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      },
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        "name": "Skewness of a d-band ",
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          "value": 1.71
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 9.68
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.3
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        "units": "eV",
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      },
      {
        "name": "Atomic radius",
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          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
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        "name": "Spatial extent of d-orbitals",
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          "value": 0.67
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 7.73
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        "units": "eV",
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      },
      {
        "name": "Electron affinity",
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          "value": 1.24
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.79
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.75
      },
      {
        "element": "Cr",
        "idealAtomicPercent": 0.25
      }
    ]
  },
  {
    "name": [
      "Cu-Co@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Second monolayer formula",
        "scalars": {
          "value": "Co"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.76
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -2.34
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.08
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
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          "value": 1.28
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 9.6
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.3
        },
        "units": "eV",
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      },
      {
        "name": "Atomic radius",
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          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
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        "name": "Spatial extent of d-orbitals",
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          "value": 0.67
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 7.73
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        "units": "eV",
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      },
      {
        "name": "Electron affinity",
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          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.89
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.75
      },
      {
        "element": "Co",
        "idealAtomicPercent": 0.25
      }
    ]
  },
  {
    "name": [
      "Cu-Ni@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Second monolayer formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.72
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.14
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.07
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 1.25
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 9.36
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.3
        },
        "units": "eV",
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        "name": "Atomic radius",
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          "value": 1.41
        },
        "units": "$\\AA$",
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        "name": "Spatial extent of d-orbitals",
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          "value": 0.67
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      },
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        "name": "Ionization potential",
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          "value": 7.73
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        "name": "Electron affinity",
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          "value": 1.24
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.9
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 1.0
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        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.75
      },
      {
        "element": "Ni",
        "idealAtomicPercent": 0.25
      }
    ]
  },
  {
    "name": [
      "Cu-Cu@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
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          "value": "Cu"
        }
      },
      {
        "name": "Second monolayer formula",
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          "value": "Cu"
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        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -0.63
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      },
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        "name": "Filling of a d-band",
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          "value": 0.97
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      },
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        "name": "Center of a d-band",
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          "value": -2.26
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        "name": "Width of a d-band",
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        "name": "Skewness of a d-band ",
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          "value": 1.11
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        "name": "Kurtosis of a d-band",
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          "value": 10.84
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      },
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        "name": "Work function",
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          "value": 5.3
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        "units": "eV",
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        "name": "Atomic radius",
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          "value": 1.41
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        "units": "$\\AA$",
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        "name": "Spatial extent of d-orbitals",
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        "name": "Ionization potential",
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        "name": "Electron affinity",
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          "value": 1.24
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.9
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        "name": "Local Pauling electronegativity",
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      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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      {
        "element": "Cu",
        "idealAtomicPercent": 1.0
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    ]
  },
  {
    "name": [
      "Cu-Y@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
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          "value": "Cu"
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      },
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        "name": "Bulk formula",
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          "value": "Cu"
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      },
      {
        "name": "Second monolayer formula",
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          "value": "Y"
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        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -0.73
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        "name": "Filling of a d-band",
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          "value": 0.97
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      },
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        "name": "Center of a d-band",
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          "value": -2.56
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        "name": "Width of a d-band",
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          "value": 0.96
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        "name": "Skewness of a d-band ",
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          "value": 2.76
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      },
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        "name": "Kurtosis of a d-band",
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          "value": 17.57
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      },
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        "name": "Work function",
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          "value": 5.3
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        "units": "eV",
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        "name": "Atomic radius",
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        "units": "$\\AA$",
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        "name": "Spatial extent of d-orbitals",
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        "name": "Ionization potential",
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        "name": "Electron affinity",
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        "units": "eV",
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        "name": "Pauling electronegativity",
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          "value": 1.9
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.56
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      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 1.0
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      {
        "element": "Cu",
        "idealAtomicPercent": 0.75
      },
      {
        "element": "Y",
        "idealAtomicPercent": 0.25
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    ]
  },
  {
    "name": [
      "Cu-Zr@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
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      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu"
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      },
      {
        "name": "Second monolayer formula",
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          "value": "Zr"
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      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -0.84
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
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        "name": "Filling of a d-band",
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          "value": 0.97
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Center of a d-band",
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          "value": -2.74
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      },
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        "name": "Width of a d-band",
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        "name": "Skewness of a d-band ",
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          "value": 2.58
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      },
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        "name": "Kurtosis of a d-band",
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      },
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        "name": "Work function",
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        "name": "Atomic radius",
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        "units": "$\\AA$",
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        "name": "Spatial extent of d-orbitals",
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        "name": "Ionization potential",
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        "name": "Electron affinity",
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          "value": 1.24
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        "units": "eV",
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      },
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        "name": "Pauling electronegativity",
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          "value": 1.9
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Local Pauling electronegativity",
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 1.0
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        "dataType": "COMPUTATIONAL"
      }
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      {
        "element": "Cu",
        "idealAtomicPercent": 0.75
      },
      {
        "element": "Zr",
        "idealAtomicPercent": 0.25
      }
    ]
  },
  {
    "name": [
      "Cu-Nb@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Second monolayer formula",
        "scalars": {
          "value": "Nb"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -1.05
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
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        "name": "Filling of a d-band",
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          "value": 0.97
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Center of a d-band",
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          "value": -2.71
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.08
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
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          "value": 2.14
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 12.69
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.3
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.67
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 7.73
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
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          "value": 1.24
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.76
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.75
      },
      {
        "element": "Nb",
        "idealAtomicPercent": 0.25
      }
    ]
  },
  {
    "name": [
      "Cu-Mo@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Second monolayer formula",
        "scalars": {
          "value": "Mo"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.18
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.52
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.11
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
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          "value": 1.58
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 9.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.3
        },
        "units": "eV",
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      },
      {
        "name": "Atomic radius",
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          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.67
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 7.73
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.01
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.75
      },
      {
        "element": "Mo",
        "idealAtomicPercent": 0.25
      }
    ]
  },
  {
    "name": [
      "Cu-Ru@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Second monolayer formula",
        "scalars": {
          "value": "Ru"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.87
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.31
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.08
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.94
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 8.48
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      },
      {
        "name": "Work function",
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          "value": 5.3
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        "units": "eV",
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        "name": "Atomic radius",
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          "value": 1.41
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        "units": "$\\AA$",
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        "name": "Spatial extent of d-orbitals",
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          "value": 0.67
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Ionization potential",
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          "value": 7.73
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
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          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 2.03
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.75
      },
      {
        "element": "Ru",
        "idealAtomicPercent": 0.25
      }
    ]
  },
  {
    "name": [
      "Cu-Rh@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
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          "value": "Cu"
        }
      },
      {
        "name": "Second monolayer formula",
        "scalars": {
          "value": "Rh"
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        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -0.81
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        "units": "eV",
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      },
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        "name": "Filling of a d-band",
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          "value": 0.97
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      },
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        "name": "Center of a d-band",
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          "value": -2.14
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        "name": "Width of a d-band",
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          "value": 1.07
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        "name": "Skewness of a d-band ",
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          "value": 0.85
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      },
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        "name": "Kurtosis of a d-band",
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          "value": 8.58
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      },
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        "name": "Work function",
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          "value": 5.3
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        "units": "eV",
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        "name": "Atomic radius",
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          "value": 1.41
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        "units": "$\\AA$",
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        "name": "Spatial extent of d-orbitals",
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          "value": 0.67
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      },
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        "name": "Ionization potential",
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        "name": "Electron affinity",
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          "value": 1.24
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        "units": "eV",
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      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.9
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 2.06
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 1.0
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        "dataType": "COMPUTATIONAL"
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      {
        "element": "Cu",
        "idealAtomicPercent": 0.75
      },
      {
        "element": "Rh",
        "idealAtomicPercent": 0.25
      }
    ]
  },
  {
    "name": [
      "Cu-Pd@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Second monolayer formula",
        "scalars": {
          "value": "Pd"
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      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -0.75
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
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        "name": "Filling of a d-band",
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          "value": 0.97
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -1.99
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.03
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Skewness of a d-band ",
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          "value": 0.71
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 9.38
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.3
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        "units": "eV",
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      },
      {
        "name": "Atomic radius",
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          "value": 1.41
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        "units": "$\\AA$",
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      },
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        "name": "Spatial extent of d-orbitals",
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        "units": "$\\AA$",
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      },
      {
        "name": "Ionization potential",
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          "value": 7.73
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        "units": "eV",
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      },
      {
        "name": "Electron affinity",
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          "value": 1.24
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 2.03
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.75
      },
      {
        "element": "Pd",
        "idealAtomicPercent": 0.25
      }
    ]
  },
  {
    "name": [
      "Cu-Ag@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Second monolayer formula",
        "scalars": {
          "value": "Ag"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.64
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.98
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -2.13
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
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          "value": 0.98
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      },
      {
        "name": "Skewness of a d-band ",
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          "value": 0.68
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 14.09
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      },
      {
        "name": "Work function",
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          "value": 5.3
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        "units": "eV",
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      },
      {
        "name": "Atomic radius",
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          "value": 1.41
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        "units": "$\\AA$",
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      },
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        "name": "Spatial extent of d-orbitals",
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        "units": "$\\AA$",
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      },
      {
        "name": "Ionization potential",
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          "value": 7.73
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      },
      {
        "name": "Electron affinity",
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          "value": 1.24
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        "units": "eV",
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      },
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        "name": "Pauling electronegativity",
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          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.91
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 1.0
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        "dataType": "COMPUTATIONAL"
      }
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    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.75
      },
      {
        "element": "Ag",
        "idealAtomicPercent": 0.25
      }
    ]
  },
  {
    "name": [
      "Cu-La@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Second monolayer formula",
        "scalars": {
          "value": "La"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.69
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -2.41
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 0.93
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 2.54
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 19.64
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.67
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 7.73
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        "units": "eV",
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      },
      {
        "name": "Electron affinity",
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          "value": 1.24
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.49
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.75
      },
      {
        "element": "La",
        "idealAtomicPercent": 0.25
      }
    ]
  },
  {
    "name": [
      "Cu-Ta@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Second monolayer formula",
        "scalars": {
          "value": "Ta"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.01
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.83
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.14
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 2.06
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 12.45
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.67
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 7.73
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.71
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.75
      },
      {
        "element": "Ta",
        "idealAtomicPercent": 0.25
      }
    ]
  },
  {
    "name": [
      "Cu-W@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Second monolayer formula",
        "scalars": {
          "value": "W"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.18
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.63
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
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          "value": 1.19
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        "name": "Skewness of a d-band ",
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          "value": 1.46
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        "name": "Kurtosis of a d-band",
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        "name": "Work function",
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          "value": 0.67
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        "name": "Ionization potential",
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          "value": 7.73
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        "name": "Electron affinity",
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          "value": 1.24
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        "units": "eV",
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        "name": "Pauling electronegativity",
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          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 2.09
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 1.0
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      {
        "element": "Cu",
        "idealAtomicPercent": 0.75
      },
      {
        "element": "W",
        "idealAtomicPercent": 0.25
      }
    ]
  },
  {
    "name": [
      "Cu-Re@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
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          "value": "Cu"
        }
      },
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        "name": "Bulk formula",
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          "value": "Cu"
        }
      },
      {
        "name": "Second monolayer formula",
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          "value": "Re"
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        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -1.12
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          "value": 0.97
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      },
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        "name": "Center of a d-band",
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          "value": 0.96
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        "name": "Kurtosis of a d-band",
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      },
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        "name": "Work function",
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        "name": "Atomic radius",
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        "name": "Ionization potential",
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        "name": "Electron affinity",
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        "name": "Pauling electronegativity",
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          "value": 1.9
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        "name": "Local Pauling electronegativity",
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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      {
        "element": "Cu",
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      {
        "element": "Re",
        "idealAtomicPercent": 0.25
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    ]
  },
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    "name": [
      "Cu-Os@Cu"
    ],
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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          "value": "Cu"
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      },
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        "name": "Bulk formula",
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          "value": "Cu"
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      },
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        "name": "Second monolayer formula",
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          "value": "Os"
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        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": 0.97
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      },
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        "name": "Center of a d-band",
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          "value": -2.52
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        "name": "Width of a d-band",
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          "value": 0.68
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      },
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        "name": "Kurtosis of a d-band",
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      },
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        "name": "Work function",
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        "name": "Atomic radius",
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          "value": 1.41
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        "units": "$\\AA$",
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        "name": "Ionization potential",
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        "name": "Electron affinity",
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          "value": 1.24
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        "units": "eV",
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        "name": "Pauling electronegativity",
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          "value": 1.9
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Local Pauling electronegativity",
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 1.0
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        "dataType": "COMPUTATIONAL"
      }
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      {
        "element": "Cu",
        "idealAtomicPercent": 0.75
      },
      {
        "element": "Os",
        "idealAtomicPercent": 0.25
      }
    ]
  },
  {
    "name": [
      "Cu-Ir@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Second monolayer formula",
        "scalars": {
          "value": "Ir"
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      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -0.78
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
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        "name": "Filling of a d-band",
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          "value": 0.97
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Center of a d-band",
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          "value": -2.31
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        "name": "Width of a d-band",
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          "value": 0.47
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      },
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        "name": "Kurtosis of a d-band",
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      },
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          "value": 1.41
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        "units": "$\\AA$",
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        "name": "Ionization potential",
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        "name": "Electron affinity",
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          "value": 1.24
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        "units": "eV",
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        "name": "Pauling electronegativity",
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          "value": 1.9
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      },
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        "name": "Local Pauling electronegativity",
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 1.0
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        "dataType": "COMPUTATIONAL"
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      {
        "element": "Cu",
        "idealAtomicPercent": 0.75
      },
      {
        "element": "Ir",
        "idealAtomicPercent": 0.25
      }
    ]
  },
  {
    "name": [
      "Cu-Pt@Cu"
    ],
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
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          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Second monolayer formula",
        "scalars": {
          "value": "Pt"
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      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -0.79
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
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        "name": "Filling of a d-band",
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          "value": 0.97
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      },
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        "name": "Center of a d-band",
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          "value": -2.09
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        "units": "eV",
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      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.12
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      },
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        "name": "Skewness of a d-band ",
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          "value": 0.28
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Kurtosis of a d-band",
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          "value": 8.95
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      },
      {
        "name": "Work function",
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          "value": 5.3
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        "units": "eV",
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      },
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        "name": "Atomic radius",
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          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
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        "name": "Spatial extent of d-orbitals",
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          "value": 0.67
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 7.73
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      },
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        "name": "Electron affinity",
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          "value": 1.24
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 2.06
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.75
      },
      {
        "element": "Pt",
        "idealAtomicPercent": 0.25
      }
    ]
  },
  {
    "name": [
      "Cu-Au@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Second monolayer formula",
        "scalars": {
          "value": "Au"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.67
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.98
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -2.08
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.04
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
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          "value": 0.13
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 12.7
        },
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      },
      {
        "name": "Work function",
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          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
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        "name": "Spatial extent of d-orbitals",
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          "value": 0.67
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 7.73
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        "units": "eV",
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      },
      {
        "name": "Electron affinity",
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          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 2.16
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.75
      },
      {
        "element": "Au",
        "idealAtomicPercent": 0.25
      }
    ]
  },
  {
    "name": [
      "Ag-Sc@Ag"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ag"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ag"
        }
      },
      {
        "name": "Second monolayer formula",
        "scalars": {
          "value": "Sc"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.06
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
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        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
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            "given": "Xianfeng",
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        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
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        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
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        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
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        "issue": "18",
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          {
            "given": "Xianfeng",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
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          {
            "given": "Xianfeng",
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          {
            "given": "Zheng",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
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        "issue": "18",
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            "given": "Xianfeng",
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            "given": "Zheng",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
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        "issue": "18",
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            "given": "Zheng",
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        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
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        "issue": "18",
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            "given": "Xianfeng",
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        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
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        "issue": "18",
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          {
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            "given": "Zheng",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
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          {
            "given": "Xianfeng",
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          {
            "given": "Zheng",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
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          {
            "tags": "*",
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            "family": "Xin"
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        "name": "Top monolayer formula",
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        "name": "Bulk formula",
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        "name": "Local Pauling electronegativity",
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    "name": [
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
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            "family": "Xin"
          }
        ]
      }
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        "name": "Bulk formula",
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        "name": "Second monolayer formula",
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        "element": "Au",
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        "element": "Cu",
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    "name": [
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
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          {
            "tags": "*",
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            "family": "Xin"
          }
        ]
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        "name": "Bulk formula",
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Y",
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    "name": [
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
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        "name": "Bulk formula",
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          "value": "Au"
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      },
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        "name": "Second monolayer formula",
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Ru",
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    "name": [
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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          "value": "Au"
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        "name": "Bulk formula",
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          "value": "Au"
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      },
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        "name": "Second monolayer formula",
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        "name": "Binding energy of adsorbed CO on a metal surface",
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        "name": "Atomic radius",
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        "units": "$\\AA$",
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        "name": "Spatial extent of d-orbitals",
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        "name": "Ionization potential",
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        "name": "Electron affinity",
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        "name": "Pauling electronegativity",
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        "name": "Local Pauling electronegativity",
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      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Au",
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      {
        "element": "Pd",
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    "name": [
      "Au-Ag@Au"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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          "value": "Au"
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      },
      {
        "name": "Bulk formula",
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          "value": "Au"
        }
      },
      {
        "name": "Second monolayer formula",
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          "value": "Ag"
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      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -0.18
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
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          "value": 0.97
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -3.19
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        "units": "eV",
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      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.32
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      },
      {
        "name": "Skewness of a d-band ",
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          "value": 1.25
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 8.65
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      },
      {
        "name": "Work function",
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          "value": 6.01
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        "units": "eV",
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      },
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        "name": "Atomic radius",
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          "value": 1.59
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        "units": "$\\AA$",
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        "name": "Spatial extent of d-orbitals",
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      },
      {
        "name": "Ionization potential",
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        "units": "eV",
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      },
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        "name": "Electron affinity",
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          "value": 2.31
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        "units": "eV",
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      },
      {
        "name": "Pauling electronegativity",
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          "value": 2.54
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 2.25
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 3.35
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Au",
        "idealAtomicPercent": 0.75
      },
      {
        "element": "Ag",
        "idealAtomicPercent": 0.25
      }
    ]
  },
  {
    "name": [
      "Au-La@Au"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
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            "given": "Zheng",
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            "given": "Luke E. K.",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
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          {
            "given": "Xianfeng",
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          {
            "given": "Zheng",
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            "given": "Luke E. K.",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
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          {
            "given": "Xianfeng",
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          {
            "given": "Zheng",
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            "given": "Luke E. K.",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
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          {
            "given": "Xianfeng",
            "family": "Ma"
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          {
            "given": "Zheng",
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          {
            "given": "Luke E. K.",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
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        "volume": "6",
        "issue": "18",
        "year": "2015",
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          {
            "given": "Xianfeng",
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          },
          {
            "given": "Zheng",
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          {
            "given": "Luke E. K.",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
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          },
          {
            "tags": "*",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
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        "issue": "18",
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          {
            "given": "Xianfeng",
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          },
          {
            "given": "Zheng",
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          {
            "given": "Luke E. K.",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
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        "issue": "18",
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          {
            "given": "Xianfeng",
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          {
            "given": "Zheng",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
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        "issue": "18",
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            "given": "Xianfeng",
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            "given": "Zheng",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
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        "issue": "18",
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          {
            "given": "Xianfeng",
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          {
            "given": "Zheng",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
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        "issue": "18",
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          {
            "given": "Xianfeng",
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          {
            "given": "Zheng",
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            "given": "Luke E. K.",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
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          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
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            "tags": "*",
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        "element": "Zr",
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    "name": [
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
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          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
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          {
            "given": "Xianfeng",
            "family": "Ma"
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          {
            "given": "Zheng",
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            "given": "Luke E. K.",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
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          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
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            "family": "Xin"
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    "name": [
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
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            "tags": "*",
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            "family": "Xin"
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Rh",
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    "name": [
      "Ni-Pd@Ni"
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
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          },
          {
            "tags": "*",
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            "family": "Xin"
          }
        ]
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        "name": "Bulk formula",
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        "name": "Second monolayer formula",
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        "name": "Binding energy of adsorbed CO on a metal surface",
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Ni",
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        "element": "Pd",
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    "name": [
      "Ni-Ag@Ni"
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
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        "name": "Top monolayer formula",
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        "name": "Bulk formula",
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        "name": "Second monolayer formula",
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        "name": "Binding energy of adsorbed CO on a metal surface",
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        "name": "Filling of a d-band",
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        "name": "Kurtosis of a d-band",
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        "name": "Atomic radius",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
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          {
            "given": "Xianfeng",
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          {
            "given": "Zheng",
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            "given": "Luke E. K.",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
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        "issue": "18",
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          {
            "given": "Xianfeng",
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            "given": "Zheng",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
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          {
            "given": "Xianfeng",
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          {
            "given": "Zheng",
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          {
            "given": "Luke E. K.",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
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          {
            "given": "Xianfeng",
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          },
          {
            "given": "Zheng",
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          {
            "given": "Luke E. K.",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
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            "tags": "*",
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    "name": [
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
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            "family": "Xin"
          }
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          "value": 1.16
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        "units": "eV",
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      },
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        "name": "Pauling electronegativity",
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          "value": 1.91
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 2.07
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      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 1.16
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        "element": "Ni",
        "idealAtomicPercent": 0.75
      },
      {
        "element": "Pt",
        "idealAtomicPercent": 0.25
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  },
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    "name": [
      "Ni-Au@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
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            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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        "name": "Bulk formula",
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        "name": "Second monolayer formula",
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        "name": "Work function",
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        "name": "Ionization potential",
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        "name": "Pauling electronegativity",
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        "name": "Local Pauling electronegativity",
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Ni",
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      {
        "element": "Au",
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    "name": [
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
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            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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        "name": "Bulk formula",
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        "name": "Second monolayer formula",
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        "name": "Binding energy of adsorbed CO on a metal surface",
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        "name": "Ionization potential",
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        "name": "Pauling electronegativity",
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Local Pauling electronegativity",
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      },
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Pd",
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      {
        "element": "Sc",
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    "name": [
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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      },
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        "name": "Bulk formula",
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        "name": "Second monolayer formula",
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        "name": "Binding energy of adsorbed CO on a metal surface",
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        "name": "Center of a d-band",
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        "name": "Ionization potential",
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        "name": "Local Pauling electronegativity",
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Pd",
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      {
        "element": "Ti",
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    "name": [
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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      },
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        "name": "Bulk formula",
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      {
        "name": "Second monolayer formula",
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        "name": "Binding energy of adsorbed CO on a metal surface",
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        "name": "Kurtosis of a d-band",
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      },
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        "name": "Work function",
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        "name": "Atomic radius",
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        "units": "$\\AA$",
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        "name": "Spatial extent of d-orbitals",
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        "name": "Ionization potential",
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        "name": "Electron affinity",
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        "name": "Pauling electronegativity",
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Local Pauling electronegativity",
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      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "dataType": "COMPUTATIONAL"
      }
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        "element": "Pd",
        "idealAtomicPercent": 0.75
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      {
        "element": "V",
        "idealAtomicPercent": 0.25
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  },
  {
    "name": [
      "Pd-Mn@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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      },
      {
        "name": "Bulk formula",
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          "value": "Pd"
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      },
      {
        "name": "Second monolayer formula",
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          "value": "Mn"
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      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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        "units": "eV",
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      },
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        "name": "Filling of a d-band",
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      },
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        "name": "Center of a d-band",
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      },
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        "name": "Width of a d-band",
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          "value": 1.49
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      },
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        "name": "Skewness of a d-band ",
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      },
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        "name": "Kurtosis of a d-band",
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      },
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        "name": "Work function",
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      },
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        "name": "Atomic radius",
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        "units": "$\\AA$",
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        "name": "Ionization potential",
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        "name": "Electron affinity",
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      },
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        "name": "Pauling electronegativity",
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          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "dataType": "COMPUTATIONAL"
      }
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    "composition": [
      {
        "element": "Pd",
        "idealAtomicPercent": 0.75
      },
      {
        "element": "Mn",
        "idealAtomicPercent": 0.25
      }
    ]
  },
  {
    "name": [
      "Pd-Co@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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          "value": "Pd"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Second monolayer formula",
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          "value": "Co"
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      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -0.9
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
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          "value": 0.92
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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      },
      {
        "name": "Width of a d-band",
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          "value": 1.47
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      },
      {
        "name": "Skewness of a d-band ",
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          "value": 0.58
        },
        "dataType": "COMPUTATIONAL"
      },
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        "name": "Kurtosis of a d-band",
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          "value": 4.31
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.9
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.52
        },
        "units": "$\\AA$",
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        "name": "Pauling electronegativity",
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        "name": "Local Pauling electronegativity",
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Pd",
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      {
        "element": "Co",
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    "name": [
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
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        "name": "Bulk formula",
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        "name": "Second monolayer formula",
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        "element": "Ni",
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    "name": [
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
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            "tags": "*",
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            "family": "Xin"
          }
        ]
      }
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        "name": "Second monolayer formula",
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        "name": "Local Pauling electronegativity",
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Cu",
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    "name": [
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
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          },
          {
            "tags": "*",
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            "family": "Xin"
          }
        ]
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Pd",
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        "element": "Y",
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    "name": [
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
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          },
          {
            "tags": "*",
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            "family": "Xin"
          }
        ]
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        "name": "Bulk formula",
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        "name": "Second monolayer formula",
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        "name": "Ionization potential",
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      },
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        "name": "Local Pauling electronegativity",
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      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Pd",
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        "element": "Zr",
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    "name": [
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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        "name": "Bulk formula",
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        "name": "Second monolayer formula",
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        "name": "Binding energy of adsorbed CO on a metal surface",
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        "name": "Ionization potential",
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        "name": "Pauling electronegativity",
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        },
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      },
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        "name": "Local Pauling electronegativity",
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      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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      }
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        "element": "Pd",
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      {
        "element": "Nb",
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  },
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    "name": [
      "Pd-Mo@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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      },
      {
        "name": "Bulk formula",
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      },
      {
        "name": "Second monolayer formula",
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          "value": "Mo"
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      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -0.79
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        "units": "eV",
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      },
      {
        "name": "Filling of a d-band",
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      },
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        "name": "Center of a d-band",
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      },
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        "name": "Width of a d-band",
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      },
      {
        "name": "Skewness of a d-band ",
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          "value": 0.99
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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        "name": "Work function",
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        "name": "Ionization potential",
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        "name": "Electron affinity",
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          "value": 0.56
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        "name": "Pauling electronegativity",
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          "value": 2.2
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 2.18
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      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 2.78
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        "element": "Pd",
        "idealAtomicPercent": 0.75
      },
      {
        "element": "Mo",
        "idealAtomicPercent": 0.25
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  },
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    "name": [
      "Pd-Ru@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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        "name": "Bulk formula",
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        "name": "Second monolayer formula",
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        "name": "Binding energy of adsorbed CO on a metal surface",
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        "name": "Pauling electronegativity",
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        "name": "Local Pauling electronegativity",
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Pd",
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      {
        "element": "Ru",
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    "name": [
      "Pd-Rh@Pd"
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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        "name": "Bulk formula",
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        "name": "Second monolayer formula",
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        "name": "Binding energy of adsorbed CO on a metal surface",
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        "name": "Center of a d-band",
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        "name": "Ionization potential",
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        "name": "Electron affinity",
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        "name": "Pauling electronegativity",
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      },
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        "name": "Local Pauling electronegativity",
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      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Pd",
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      {
        "element": "Rh",
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    "name": [
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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        "name": "Bulk formula",
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      {
        "name": "Second monolayer formula",
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        "name": "Binding energy of adsorbed CO on a metal surface",
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        "name": "Local Pauling electronegativity",
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Pd",
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      {
        "element": "Ag",
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    "name": [
      "Pd-La@Pd"
    ],
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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      },
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        "name": "Bulk formula",
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      },
      {
        "name": "Second monolayer formula",
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        "name": "Binding energy of adsorbed CO on a metal surface",
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        "name": "Center of a d-band",
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        "name": "Kurtosis of a d-band",
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      },
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        "name": "Atomic radius",
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        "units": "$\\AA$",
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        "name": "Spatial extent of d-orbitals",
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        "name": "Ionization potential",
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        "name": "Electron affinity",
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      },
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        "name": "Pauling electronegativity",
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        },
        "dataType": "COMPUTATIONAL"
      },
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        "name": "Local Pauling electronegativity",
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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      }
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        "element": "Pd",
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      {
        "element": "La",
        "idealAtomicPercent": 0.25
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  },
  {
    "name": [
      "Pd-Ta@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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      },
      {
        "name": "Bulk formula",
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          "value": "Pd"
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      },
      {
        "name": "Second monolayer formula",
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          "value": "Ta"
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      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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        "units": "eV",
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      },
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        "name": "Filling of a d-band",
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          "value": 0.92
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      },
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        "name": "Center of a d-band",
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      },
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        "name": "Width of a d-band",
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      },
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        "name": "Skewness of a d-band ",
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      },
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        "name": "Kurtosis of a d-band",
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      },
      {
        "name": "Work function",
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      },
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        "name": "Atomic radius",
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        "units": "$\\AA$",
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      },
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        "name": "Ionization potential",
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      },
      {
        "name": "Electron affinity",
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          "value": 0.56
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        "units": "eV",
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      },
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        "name": "Pauling electronegativity",
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          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.86
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 2.78
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        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Pd",
        "idealAtomicPercent": 0.75
      },
      {
        "element": "Ta",
        "idealAtomicPercent": 0.25
      }
    ]
  },
  {
    "name": [
      "Pd-W@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
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          "value": "Pd"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Second monolayer formula",
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          "value": "W"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.8
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.91
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -2.67
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
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        "name": "Electron affinity",
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        "name": "Pauling electronegativity",
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          "value": 2.2
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      },
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        "name": "Local Pauling electronegativity",
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          "value": 2.27
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Pd",
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      },
      {
        "element": "W",
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  },
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    "name": [
      "Pd-Os@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
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        "name": "Top monolayer formula",
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        "name": "Bulk formula",
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        "name": "Second monolayer formula",
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        "name": "Local Pauling electronegativity",
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Pd",
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        "element": "Os",
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    "name": [
      "Pd-Ir@Pd"
    ],
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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        "name": "Bulk formula",
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        "name": "Second monolayer formula",
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        "name": "Binding energy of adsorbed CO on a metal surface",
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        "name": "Ionization potential",
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        "name": "Pauling electronegativity",
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        "name": "Local Pauling electronegativity",
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Pd",
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      {
        "element": "Ir",
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    "name": [
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Bulk formula",
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        "name": "Second monolayer formula",
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        "name": "Binding energy of adsorbed CO on a metal surface",
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Pt",
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    "name": [
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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        "name": "Bulk formula",
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        "name": "Second monolayer formula",
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        "name": "Binding energy of adsorbed CO on a metal surface",
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        "units": "$\\AA$",
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        "name": "Ionization potential",
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        "name": "Electron affinity",
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        "name": "Pauling electronegativity",
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Local Pauling electronegativity",
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "dataType": "COMPUTATIONAL"
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        "element": "Pd",
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      {
        "element": "Au",
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    "name": [
      "Pt-Sc@Pt"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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          "value": "Pt"
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      },
      {
        "name": "Bulk formula",
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          "value": "Pt"
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      },
      {
        "name": "Second monolayer formula",
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          "value": "Sc"
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      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
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        "name": "Filling of a d-band",
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          "value": 0.89
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      },
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        "name": "Center of a d-band",
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      },
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        "name": "Width of a d-band",
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        "name": "Skewness of a d-band ",
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      },
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        "name": "Kurtosis of a d-band",
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      },
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        "name": "Work function",
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          "value": 6.74
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      },
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        "name": "Atomic radius",
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          "value": 1.53
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        "units": "$\\AA$",
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        "name": "Spatial extent of d-orbitals",
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        "units": "$\\AA$",
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      },
      {
        "name": "Ionization potential",
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          "value": 9.0
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        "units": "eV",
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      },
      {
        "name": "Electron affinity",
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          "value": 2.13
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 2.28
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.81
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 3.9
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        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Pt",
        "idealAtomicPercent": 0.75
      },
      {
        "element": "Sc",
        "idealAtomicPercent": 0.25
      }
    ]
  },
  {
    "name": [
      "Pt-Ti@Pt"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pt"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pt"
        }
      },
      {
        "name": "Second monolayer formula",
        "scalars": {
          "value": "Ti"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.77
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
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          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
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          {
            "given": "Luke E. K.",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
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          {
            "given": "Xianfeng",
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          {
            "given": "Zheng",
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            "given": "Luke E. K.",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
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          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
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          {
            "given": "Luke E. K.",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
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          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
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    "name": [
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
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          },
          {
            "tags": "*",
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            "family": "Xin"
          }
        ]
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    "name": [
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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        "name": "Local Pauling electronegativity",
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        "element": "Zr",
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    "name": [
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
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          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
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            "family": "Xin"
          }
        ]
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        "element": "Nb",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
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          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
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        "element": "Mo",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
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            "family": "Xin"
          }
        ]
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
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          },
          {
            "tags": "*",
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            "family": "Xin"
          }
        ]
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Rh",
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    "name": [
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
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            "family": "Xin"
          }
        ]
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        "name": "Bulk formula",
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        "name": "Second monolayer formula",
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        "name": "Binding energy of adsorbed CO on a metal surface",
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        "name": "Pauling electronegativity",
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        "name": "Local Pauling electronegativity",
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      },
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Pt",
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      {
        "element": "Pd",
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  {
    "name": [
      "Pt-Ag@Pt"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
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            "given": "Xianfeng",
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          {
            "given": "Zheng",
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            "given": "Luke E. K.",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
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        "issue": "18",
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            "given": "Zheng",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
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          {
            "given": "Xianfeng",
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          {
            "given": "Zheng",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
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          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
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          {
            "given": "Luke E. K.",
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
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          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
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          },
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
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          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
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            "family": "Xin"
          }
        ]
      }
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        "name": "Top monolayer formula",
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        "name": "Bulk formula",
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          "value": "Pt"
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        "name": "Second monolayer formula",
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        "element": "Ir",
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    "name": [
      "Pt-Pt@Pt"
    ],
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
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          }
        ]
      }
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        "name": "Top monolayer formula",
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        "name": "Bulk formula",
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        "name": "Second monolayer formula",
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        "name": "Binding energy of adsorbed CO on a metal surface",
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        "name": "Pauling electronegativity",
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        "element": "Pt",
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    "name": [
      "Pt-Au@Pt"
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
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            "family": "Xin"
          }
        ]
      }
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        "name": "Top monolayer formula",
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        "name": "Bulk formula",
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        "name": "Second monolayer formula",
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        "element": "Au",
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    "name": [
      "Cu$_{3}$Sc@Cu"
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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          "value": "Cu"
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        "name": "Bulk formula",
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        "name": "Binding energy of adsorbed CO on a metal surface",
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        "name": "Kurtosis of a d-band",
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        "name": "Ionization potential",
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        "name": "Pauling electronegativity",
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          "value": 1.9
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Local Pauling electronegativity",
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Cu",
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      {
        "element": "Sc",
        "idealAtomicPercent": 0.2
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    ]
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  {
    "name": [
      "Cu$_{3}$Ti@Cu"
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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          "value": "Cu"
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      },
      {
        "name": "Bulk formula",
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          "value": "Cu3Ti"
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      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -0.52
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          "value": 0.97
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      },
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        "name": "Center of a d-band",
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          "value": -2.45
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        "name": "Width of a d-band",
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          "value": 0.97
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        "name": "Skewness of a d-band ",
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          "value": 1.96
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        "name": "Kurtosis of a d-band",
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          "value": 13.27
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      },
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        "name": "Work function",
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          "value": 5.3
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        "name": "Atomic radius",
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        "name": "Spatial extent of d-orbitals",
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        "name": "Ionization potential",
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        "name": "Electron affinity",
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          "value": 1.24
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        "units": "eV",
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      },
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        "name": "Pauling electronegativity",
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          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.81
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      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 1.0
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        "dataType": "COMPUTATIONAL"
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      {
        "element": "Cu",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ti",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Cu$_{3}$V@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu3V"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -0.65
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        "units": "eV",
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      },
      {
        "name": "Filling of a d-band",
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          "value": 0.97
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -2.34
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
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          "value": 1.0
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      },
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        "name": "Skewness of a d-band ",
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          "value": 1.78
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      },
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        "name": "Kurtosis of a d-band",
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          "value": 12.24
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.3
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        "units": "eV",
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      },
      {
        "name": "Atomic radius",
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          "value": 1.41
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        "units": "$\\AA$",
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      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.67
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      },
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        "name": "Ionization potential",
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        "name": "Electron affinity",
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        "units": "eV",
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        "name": "Pauling electronegativity",
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      },
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        "name": "Local Pauling electronegativity",
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          "value": 1.84
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 1.0
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        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.8
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      {
        "element": "V",
        "idealAtomicPercent": 0.2
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    ]
  },
  {
    "name": [
      "Cu$_{3}$Cr@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu3Cr"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.66
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -2.36
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.01
        },
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 1.7
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 12.23
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.67
        },
        "units": "$\\AA$",
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      },
      {
        "name": "Ionization potential",
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          "value": 7.73
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
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          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.84
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Cr",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Cu$_{3}$Mn@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu3Mn"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.63
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.38
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.01
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
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          "value": 1.55
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 12.33
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.67
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 7.73
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
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          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.82
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Mn",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Cu$_{3}$Co@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu3Co"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.63
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.19
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.07
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 1.19
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 9.91
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.67
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 7.73
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
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          "value": 1.24
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Co",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Cu$_{3}$Ni@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu3Ni"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.66
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.15
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.07
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 1.17
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 9.8
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.67
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 7.73
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ni",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Cu$_{3}$Cu@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu3Cu"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.63
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.26
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.06
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 1.11
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 10.84
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.67
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 7.73
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 1.0
      }
    ]
  },
  {
    "name": [
      "Cu$_{3}$Zn@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu3Zn"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.7
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.98
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.36
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.02
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.94
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 13.94
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.67
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.73
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.84
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Zn",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Cu$_{3}$Ga@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu3Ga"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.72
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.53
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.06
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.85
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 15.36
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.67
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.73
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.88
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ga",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Cu$_{3}$Ge@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu3Ge"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.8
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.46
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.09
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.54
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 14.48
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.67
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.73
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.92
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ge",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Cu$_{3}$Y@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu3Y"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.49
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.31
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 0.9
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 15.96
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.67
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.73
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.72
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Y",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Cu$_{3}$Zr@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu3Zr"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.56
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.39
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 0.93
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 2.37
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 15.68
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.67
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.73
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.76
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Zr",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Cu$_{3}$Nb@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu3Nb"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.51
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.36
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 0.99
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 1.91
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 12.49
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.67
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.73
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.83
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Nb",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Cu$_{3}$Mo@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu3Mo"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.48
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.27
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.03
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 1.51
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 10.49
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.67
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.73
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.95
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Mo",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Cu$_{3}$Ru@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu3Ru"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.67
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.04
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.04
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 1.06
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 9.17
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.67
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.73
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.96
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ru",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Cu$_{3}$Pd@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu3Pd"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.7
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.94
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.01
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.87
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 9.99
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.67
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.73
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.96
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Pd",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Cu$_{3}$Ag@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu3Ag"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.7
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.98
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.09
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 0.96
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.77
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 13.51
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.67
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.73
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.91
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ag",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Cu$_{3}$In@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu3In"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.75
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.98
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.39
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 0.99
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": -0.21
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 29.99
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.67
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.73
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.87
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "In",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Cu$_{3}$La@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu3La"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.6
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.16
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 0.86
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 2.11
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 16.29
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.67
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.73
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.68
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "La",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Cu$_{3}$Ta@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu3Ta"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.49
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.47
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.03
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 12.33
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.67
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.73
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.8
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ta",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Cu$_{3}$W@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu3W"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.46
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.38
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.08
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 1.49
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 10.17
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.67
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.73
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.99
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "W",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Cu$_{3}$Re@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu3Re"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.49
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.31
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.13
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 1.11
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 8.69
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.67
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.73
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Re",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Cu$_{3}$Os@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu3Os"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.65
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.23
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.13
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.92
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 8.43
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.67
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.73
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.96
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Os",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Cu$_{3}$Ir@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu3Ir"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.72
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.09
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.1
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.78
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 8.59
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.67
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.73
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.96
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ir",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Cu$_{3}$Pt@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu3Pt"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.74
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.97
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.07
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.61
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 9.16
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.67
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.73
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.98
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Pt",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Cu$_{3}$Au@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu3Au"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.72
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.98
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.11
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.02
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.35
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 11.84
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.67
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.73
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.03
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Au",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Cu$_{3}$Tl@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu3Tl"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.73
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.98
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.31
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 0.98
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": -0.51
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 27.36
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.67
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.73
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.83
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Tl",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Cu$_{3}$Pb@Cu"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Cu"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Cu3Pb"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.8
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.98
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.27
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 0.92
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.77
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 19.57
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.41
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.67
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.73
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.99
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Cu",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Pb",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ag$_{3}$Sc@Ag"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ag"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ag3Sc"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.05
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.98
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -4.02
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.06
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 3.28
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 20.88
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.01
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.59
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.89
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.58
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.79
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.26
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Ag",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Sc",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ag$_{3}$Ti@Ag"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ag"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ag3Ti"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.1
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.98
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -4.01
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.09
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 2.96
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 18.67
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.01
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.59
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.89
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.58
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.84
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.26
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Ag",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ti",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ag$_{3}$V@Ag"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ag"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ag3V"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.12
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.98
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -3.98
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.13
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 2.88
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 17.91
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.01
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.59
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.89
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.58
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.86
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.26
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Ag",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "V",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ag$_{3}$Cr@Ag"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ag"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ag3Cr"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.12
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.98
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -4.03
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.13
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 2.88
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 18.26
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.01
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.59
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.89
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.58
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.87
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.26
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Ag",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Cr",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ag$_{3}$Mn@Ag"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ag"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ag3Mn"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.12
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.98
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -4.08
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.15
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 2.71
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 17.36
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.01
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.59
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.89
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.58
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.84
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.26
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Ag",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Mn",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ag$_{3}$Co@Ag"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ag"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ag3Co"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.11
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.98
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -3.9
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.19
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
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          "value": 2.32
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 14.44
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.01
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.59
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.89
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 7.58
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
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          "value": 1.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.92
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 2.26
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Ag",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Co",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ag$_{3}$Ni@Ag"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ag"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ag3Ni"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.09
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.98
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -3.85
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.2
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 2.29
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 14.31
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.01
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.59
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.89
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 7.58
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.93
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.26
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Ag",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ni",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ag$_{3}$Cu@Ag"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ag"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ag3Cu"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.08
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.98
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -3.99
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.16
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 2.37
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 15.46
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.01
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.59
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.89
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 7.58
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.92
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.26
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Ag",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Cu",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ag$_{3}$Zn@Ag"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ag"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ag3Zn"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.11
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.98
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -4.1
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.14
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 2.28
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 16.76
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.01
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.59
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.89
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.58
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.86
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.26
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Ag",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Zn",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ag$_{3}$Ga@Ag"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ag"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ag3Ga"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.14
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.98
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -4.12
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.16
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 2.34
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 17.28
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.01
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.59
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.89
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.58
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.26
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Ag",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ga",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ag$_{3}$Ge@Ag"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ag"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ag3Ge"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.2
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.98
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -3.92
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.13
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 2.25
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 17.64
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.01
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.59
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.89
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.58
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.95
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.26
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Ag",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ge",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ag$_{3}$Nb@Ag"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ag"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ag3Nb"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.07
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.98
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -3.89
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.14
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
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          "value": 2.86
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 16.72
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.01
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.59
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.89
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
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        "name": "Ionization potential",
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          "value": 7.58
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
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        "name": "Electron affinity",
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          "value": 1.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.85
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.26
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Ag",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Nb",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ag$_{3}$Ru@Ag"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ag"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ag3Ru"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.11
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.98
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -3.65
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.18
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 2.24
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 13.22
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.01
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.59
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.89
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 7.58
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
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          "value": 1.3
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.99
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.26
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Ag",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ru",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ag$_{3}$Pd@Ag"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ag"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ag3Pd"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.08
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.98
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -3.69
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.13
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 2.3
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 14.48
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.01
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.59
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.89
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.58
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.99
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.26
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Ag",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Pd",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ag$_{3}$Ag@Ag"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ag"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ag3Ag"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.09
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.98
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -3.92
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.1
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 2.38
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 16.87
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.01
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.59
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.89
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.58
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.26
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Ag",
        "idealAtomicPercent": 1.0
      }
    ]
  },
  {
    "name": [
      "Ag$_{3}$Ta@Ag"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ag"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ag3Ta"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.02
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -3.98
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.21
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 2.73
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 15.39
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.01
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.59
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.89
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.58
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.82
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.26
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Ag",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ta",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ag$_{3}$W@Ag"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ag"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ag3W"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.03
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -3.89
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 2.47
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 13.65
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.01
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.59
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.89
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.58
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.02
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.26
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Ag",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "W",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ag$_{3}$Os@Ag"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ag"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ag3Os"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.1
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.98
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -3.74
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 2.1
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 11.95
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.01
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.59
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.89
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.58
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.99
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.26
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Ag",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Os",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ag$_{3}$Ir@Ag"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ag"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ag3Ir"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.14
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.98
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -3.66
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.22
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 2.09
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 12.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.01
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.59
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.89
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.58
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.99
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.26
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Ag",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ir",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ag$_{3}$Pt@Ag"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ag"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ag3Pt"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.12
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.98
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -3.68
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.18
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 2.11
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 12.89
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.01
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.59
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.89
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.58
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.0
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.26
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Ag",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Pt",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ag$_{3}$Au@Ag"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ag"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ag3Au"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.11
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.98
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -3.86
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.13
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 2.14
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 14.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.01
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.59
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.89
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.58
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.05
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.26
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Ag",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Au",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Au$_{3}$Cu@Au"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Au"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Au3Cu"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.17
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -3.34
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.48
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 1.09
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 6.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 6.01
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.59
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 1.01
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 9.23
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 2.31
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.54
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.38
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 3.35
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Au",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Cu",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Au$_{3}$Zn@Au"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Au"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Au3Zn"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -3.5
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.45
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 1.0
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 7.66
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 6.01
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.59
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 1.01
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 9.23
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
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          "value": 2.31
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.54
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 2.31
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 3.35
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Au",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Zn",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Au$_{3}$Ga@Au"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Au"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Au3Ga"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.21
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
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          "value": 0.97
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -3.53
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.47
        },
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
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          "value": 1.12
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 8.26
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 6.01
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.59
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 1.01
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        "units": "$\\AA$",
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      },
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        "name": "Ionization potential",
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          "value": 9.23
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      },
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        "name": "Electron affinity",
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          "value": 2.31
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 2.54
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 2.36
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 3.35
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Au",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ga",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Au$_{3}$Pd@Au"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Au"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Au3Pd"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.99
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.43
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 1.02
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 6.49
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 6.01
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.59
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 1.01
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 9.23
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
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          "value": 2.31
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 2.54
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.46
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 3.35
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Au",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Pd",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Au$_{3}$Ag@Au"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Au"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Au3Ag"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.21
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -3.17
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.37
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 1.07
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 7.67
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 6.01
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.59
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 1.01
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 9.23
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
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          "value": 2.31
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 2.54
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.39
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 3.35
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Au",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ag",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Au$_{3}$Pt@Au"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Au"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Au3Pt"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.36
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -3.02
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.47
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.94
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 6.07
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 6.01
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.59
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 1.01
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 9.23
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 2.31
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.54
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.48
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 3.35
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Au",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Pt",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Au$_{3}$Au@Au"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Au"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Au3Au"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.26
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -3.18
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.41
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.92
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 7.01
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 6.01
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.59
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 1.01
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 9.23
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 2.31
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.54
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.54
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 3.35
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Au",
        "idealAtomicPercent": 1.0
      }
    ]
  },
  {
    "name": [
      "Ni$_{3}$Sc@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni3Sc"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.47
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.88
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -0.94
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.18
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 1.08
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 6.7
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.77
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.38
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.71
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.64
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        "units": "eV",
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      },
      {
        "name": "Electron affinity",
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          "value": 1.16
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.91
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.77
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 1.16
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Ni",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Sc",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ni$_{3}$Ti@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni3Ti"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -1.52
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        "name": "Filling of a d-band",
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          "value": 0.88
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      },
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        "name": "Center of a d-band",
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          "value": -1.2
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      },
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        "name": "Width of a d-band",
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          "value": 1.3
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        "name": "Skewness of a d-band ",
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          "value": 0.73
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        "name": "Kurtosis of a d-band",
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          "value": 5.38
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Work function",
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          "value": 5.77
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.38
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        "units": "$\\AA$",
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      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.71
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        "name": "Ionization potential",
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          "value": 7.64
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        "name": "Electron affinity",
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        "units": "eV",
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      {
        "name": "Pauling electronegativity",
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          "value": 1.91
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.82
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 1.16
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        "dataType": "COMPUTATIONAL"
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      {
        "element": "Ni",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ti",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ni$_{3}$V@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni3V"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.4
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
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        "name": "Filling of a d-band",
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          "value": 0.87
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      },
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        "name": "Center of a d-band",
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          "value": -1.52
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
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          "value": 1.37
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Skewness of a d-band ",
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          "value": 0.59
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      },
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        "name": "Kurtosis of a d-band",
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          "value": 5.02
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.77
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.38
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        "units": "$\\AA$",
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      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.71
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        "name": "Ionization potential",
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          "value": 7.64
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        "name": "Electron affinity",
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          "value": 1.16
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.91
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.84
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 1.16
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        "dataType": "COMPUTATIONAL"
      }
    ],
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      {
        "element": "Ni",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "V",
        "idealAtomicPercent": 0.2
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    ]
  },
  {
    "name": [
      "Ni$_{3}$Cr@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni3Cr"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -1.53
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
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          "value": 0.87
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -1.31
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.33
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      },
      {
        "name": "Skewness of a d-band ",
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          "value": 0.46
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 5.11
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.77
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.38
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.71
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        "units": "$\\AA$",
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      },
      {
        "name": "Ionization potential",
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          "value": 7.64
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        "units": "eV",
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      },
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        "name": "Electron affinity",
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          "value": 1.16
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.91
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.85
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 1.16
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        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Ni",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Cr",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ni$_{3}$Co@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni3Co"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.47
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.87
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.42
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.36
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
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          "value": 0.37
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 5.13
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.77
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.38
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.71
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 7.64
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
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          "value": 1.16
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.91
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.16
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Ni",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Co",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ni$_{3}$Cu@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni3Cu"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.52
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.87
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.19
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.29
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
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          "value": 0.34
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 5.79
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.77
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.38
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.71
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 7.64
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
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          "value": 1.16
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.91
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.91
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.16
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Ni",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Cu",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ni$_{3}$Zn@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni3Zn"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.53
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.88
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.15
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.27
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.28
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 7.68
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.77
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.38
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.71
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.64
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.16
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.91
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.85
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.16
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Ni",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Zn",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ni$_{3}$Ga@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni3Ga"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -1.56
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        "units": "eV",
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      },
      {
        "name": "Filling of a d-band",
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          "value": 0.88
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -1.11
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        "units": "eV",
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      },
      {
        "name": "Width of a d-band",
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          "value": 1.32
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      },
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        "name": "Skewness of a d-band ",
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          "value": 0.06
        },
        "dataType": "COMPUTATIONAL"
      },
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        "name": "Kurtosis of a d-band",
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          "value": 9.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.77
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.38
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.71
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        "units": "$\\AA$",
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      },
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        "name": "Ionization potential",
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          "value": 7.64
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Electron affinity",
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          "value": 1.16
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.91
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.89
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 1.16
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        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Ni",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ga",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ni$_{3}$Ge@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni3Ge"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.54
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.88
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -1.19
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
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          "value": 1.38
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
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          "value": -0.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 8.89
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.77
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.38
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.71
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 7.64
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
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        "name": "Electron affinity",
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          "value": 1.16
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.91
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.93
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 1.16
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        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Ni",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ge",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ni$_{3}$Y@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni3Y"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.49
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
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          "value": 0.88
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -0.79
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.1
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      },
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        "name": "Skewness of a d-band ",
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          "value": 1.34
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 8.08
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.77
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.38
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.71
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        "units": "$\\AA$",
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      },
      {
        "name": "Ionization potential",
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          "value": 7.64
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
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          "value": 1.16
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.91
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.73
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.16
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Ni",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Y",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ni$_{3}$Zr@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni3Zr"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.54
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.88
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.04
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.23
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.92
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 6.07
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.77
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.38
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.71
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.64
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.16
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.91
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.76
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.16
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Ni",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Zr",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ni$_{3}$Nb@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni3Nb"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.35
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.87
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.49
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.34
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.74
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 5.63
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.77
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.38
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.71
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.64
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.16
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.91
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.84
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.16
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Ni",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Nb",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ni$_{3}$Mo@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni3Mo"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.36
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.87
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.52
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.37
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.51
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 5.25
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.77
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.38
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.71
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.64
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.16
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.91
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.96
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.16
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Ni",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Mo",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ni$_{3}$Ru@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni3Ru"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.52
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      },
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        "name": "Filling of a d-band",
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          "value": 0.87
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      },
      {
        "name": "Center of a d-band",
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          "value": -1.33
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      },
      {
        "name": "Width of a d-band",
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          "value": 1.32
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      },
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        "name": "Skewness of a d-band ",
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          "value": 0.27
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      },
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        "name": "Kurtosis of a d-band",
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          "value": 5.35
        },
        "dataType": "COMPUTATIONAL"
      },
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        "name": "Work function",
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          "value": 5.77
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.38
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.71
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        "name": "Ionization potential",
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          "value": 7.64
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        "name": "Electron affinity",
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          "value": 1.16
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        "units": "eV",
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      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.91
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.97
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 1.16
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        "dataType": "COMPUTATIONAL"
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    ],
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    "composition": [
      {
        "element": "Ni",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ru",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ni$_{3}$Rh@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni3Rh"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.56
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        "units": "eV",
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      },
      {
        "name": "Filling of a d-band",
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          "value": 0.87
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      },
      {
        "name": "Center of a d-band",
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          "value": -1.3
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.32
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      },
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        "name": "Skewness of a d-band ",
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          "value": 0.26
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Kurtosis of a d-band",
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          "value": 5.41
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.77
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.38
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.71
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        "units": "$\\AA$",
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      },
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        "name": "Ionization potential",
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          "value": 7.64
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        "name": "Electron affinity",
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          "value": 1.16
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.91
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.99
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 1.16
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        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Ni",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Rh",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ni$_{3}$Pd@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni3Pd"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.61
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
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          "value": 0.87
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.2
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.27
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      },
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        "name": "Skewness of a d-band ",
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          "value": 0.22
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 6.09
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.77
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.38
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        "units": "$\\AA$",
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      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.71
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        "units": "$\\AA$",
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      },
      {
        "name": "Ionization potential",
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          "value": 7.64
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        "units": "eV",
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      },
      {
        "name": "Electron affinity",
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          "value": 1.16
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.91
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.97
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 1.16
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        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Ni",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Pd",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ni$_{3}$Ag@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni3Ag"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.62
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.88
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -1.1
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.22
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
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          "value": 0.18
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 7.75
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.77
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.38
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.71
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 7.64
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
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          "value": 1.16
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.91
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.91
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.16
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Ni",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ag",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ni$_{3}$In@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni3In"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.63
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.89
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -0.99
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.22
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": -0.48
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 18.37
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.77
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.38
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.71
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 7.64
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.16
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.91
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.88
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.16
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Ni",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "In",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ni$_{3}$Sn@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni3Sn"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.63
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.89
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -0.98
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.22
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.11
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 9.69
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.77
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.38
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.71
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 7.64
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.16
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.91
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.92
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 1.16
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Ni",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Sn",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ni$_{3}$La@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
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          "value": "Ni"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni3La"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -1.47
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        "name": "Filling of a d-band",
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          "value": 0.89
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        "name": "Kurtosis of a d-band",
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          "value": 8.28
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        "name": "Work function",
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        "name": "Atomic radius",
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        "name": "Spatial extent of d-orbitals",
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        "name": "Ionization potential",
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        "name": "Pauling electronegativity",
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          "value": 1.91
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Local Pauling electronegativity",
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          "value": 1.69
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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      {
        "element": "Ni",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "La",
        "idealAtomicPercent": 0.2
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    ]
  },
  {
    "name": [
      "Ni$_{3}$Ta@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
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          "value": "Ni"
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      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni3Ta"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -1.33
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        "name": "Filling of a d-band",
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          "value": 0.87
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      },
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        "name": "Center of a d-band",
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      },
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        "name": "Width of a d-band",
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        "name": "Skewness of a d-band ",
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          "value": 0.76
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        "name": "Kurtosis of a d-band",
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        "name": "Work function",
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        "name": "Atomic radius",
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          "value": 1.38
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        "units": "$\\AA$",
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        "name": "Spatial extent of d-orbitals",
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          "value": 0.71
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        "name": "Ionization potential",
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        "name": "Electron affinity",
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        "units": "eV",
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        "name": "Pauling electronegativity",
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          "value": 1.91
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.81
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 1.16
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        "dataType": "COMPUTATIONAL"
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      {
        "element": "Ni",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ta",
        "idealAtomicPercent": 0.2
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    ]
  },
  {
    "name": [
      "Ni$_{3}$W@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni3W"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -1.34
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        "name": "Filling of a d-band",
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          "value": 0.87
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -1.6
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      },
      {
        "name": "Width of a d-band",
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          "value": 1.43
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        "name": "Skewness of a d-band ",
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        "name": "Kurtosis of a d-band",
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      },
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        "name": "Work function",
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      },
      {
        "name": "Atomic radius",
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          "value": 1.38
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        "units": "$\\AA$",
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        "name": "Spatial extent of d-orbitals",
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        "name": "Ionization potential",
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        "name": "Electron affinity",
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.91
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "dataType": "COMPUTATIONAL"
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      {
        "element": "Ni",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "W",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ni$_{3}$Re@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni3Re"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -1.34
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        "units": "eV",
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      },
      {
        "name": "Filling of a d-band",
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          "value": 0.87
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -1.59
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        "units": "eV",
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      },
      {
        "name": "Width of a d-band",
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          "value": 1.46
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        "name": "Skewness of a d-band ",
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      },
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        "name": "Kurtosis of a d-band",
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          "value": 4.87
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.77
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.38
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        "units": "$\\AA$",
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      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.71
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        "name": "Ionization potential",
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          "value": 7.64
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        "name": "Electron affinity",
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          "value": 1.16
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.91
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.91
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 1.16
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        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Ni",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Re",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ni$_{3}$Os@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni3Os"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -1.44
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
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          "value": 0.87
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -1.45
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.43
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      },
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        "name": "Skewness of a d-band ",
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          "value": 0.07
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      },
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        "name": "Kurtosis of a d-band",
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          "value": 5.1
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.77
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        "units": "eV",
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      },
      {
        "name": "Atomic radius",
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          "value": 1.38
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        "units": "$\\AA$",
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      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.71
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      },
      {
        "name": "Ionization potential",
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          "value": 7.64
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        "units": "eV",
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      },
      {
        "name": "Electron affinity",
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          "value": 1.16
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.91
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.97
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 1.16
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Ni",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Os",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ni$_{3}$Ir@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni3Ir"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.58
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.87
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.3
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.37
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      },
      {
        "name": "Skewness of a d-band ",
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          "value": 0.03
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 5.6
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.77
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.38
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.71
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 7.64
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
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          "value": 1.16
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
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        "name": "Pauling electronegativity",
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Local Pauling electronegativity",
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      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 1.16
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        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Ni",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ir",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ni$_{3}$Pt@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni3Pt"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.65
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.87
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -1.25
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        "units": "eV",
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      },
      {
        "name": "Width of a d-band",
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          "value": 1.33
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      },
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        "name": "Skewness of a d-band ",
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          "value": 0.05
        },
        "dataType": "COMPUTATIONAL"
      },
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        "name": "Kurtosis of a d-band",
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          "value": 6.16
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.77
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.38
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.71
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
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        "name": "Ionization potential",
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          "value": 7.64
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Electron affinity",
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          "value": 1.16
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.91
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.99
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 1.16
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        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Ni",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Pt",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ni$_{3}$Au@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni3Au"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.68
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.87
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -1.12
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.27
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
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          "value": -0.06
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 7.75
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.77
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.38
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.71
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 7.64
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
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          "value": 1.16
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.91
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 2.03
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.16
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Ni",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Au",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ni$_{3}$Tl@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni3Tl"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.68
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.89
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -0.97
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.21
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
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          "value": -0.69
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 17.49
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.77
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.38
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.71
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 7.64
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
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          "value": 1.16
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.91
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 1.84
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.16
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Ni",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Tl",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ni$_{3}$Pb@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni3Pb"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.65
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.89
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -0.91
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.15
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
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          "value": -0.07
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 12.21
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.77
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.38
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.71
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 7.64
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
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          "value": 1.16
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 1.91
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.0
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.16
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Ni",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Pb",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Ni$_{3}$Bi@Ni"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Ni"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Ni3Bi"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.63
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.89
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.04
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.23
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": -0.57
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 15.32
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.77
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.38
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.71
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 7.64
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 1.16
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 1.91
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 1.16
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Ni",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Bi",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pd$_{3}$Sc@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd3Sc"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.82
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.72
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.39
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 1.04
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 5.49
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.9
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.52
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.94
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 8.34
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 0.56
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.98
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.78
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Pd",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Sc",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pd$_{3}$Ti@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd3Ti"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.94
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -2.27
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
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          "value": 1.51
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
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          "value": 0.78
        },
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      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 4.33
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.9
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.52
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.94
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        "units": "$\\AA$",
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      },
      {
        "name": "Ionization potential",
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          "value": 8.34
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
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          "value": 0.56
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 2.03
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 2.78
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Pd",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ti",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pd$_{3}$V@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pd"
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      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd3V"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.95
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.92
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.19
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.51
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
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          "value": 0.64
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      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 4.06
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.9
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.52
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.94
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 8.34
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
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          "value": 0.56
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.06
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.78
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Pd",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "V",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pd$_{3}$Cr@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd3Cr"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.99
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.92
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.87
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.43
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.58
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 4.23
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.9
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.52
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.94
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 8.34
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 0.56
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.07
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.78
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Pd",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Cr",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pd$_{3}$Mn@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd3Mn"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.0
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.75
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.41
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
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          "value": 0.53
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 4.39
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.9
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.52
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.94
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 8.34
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 0.56
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.04
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.78
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Pd",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Mn",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pd$_{3}$Co@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd3Co"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.07
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.92
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.95
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.48
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
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          "value": 0.35
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 3.8
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.9
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.52
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.94
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 8.34
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 0.56
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.12
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.78
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Pd",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Co",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pd$_{3}$Ni@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd3Ni"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.17
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.92
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.82
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.43
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.35
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 3.86
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.9
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.52
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.94
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 8.34
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 0.56
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.13
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.78
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Pd",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ni",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pd$_{3}$Cu@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd3Cu"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.15
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.92
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.72
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.4
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.31
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 3.95
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.9
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.52
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.94
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 8.34
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 0.56
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.13
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.78
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Pd",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Cu",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pd$_{3}$Zn@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd3Zn"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.04
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.77
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.38
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
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          "value": 0.16
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 4.96
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.9
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.52
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.94
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 8.34
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 0.56
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.06
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.78
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Pd",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Zn",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pd$_{3}$Ga@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd3Ga"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.15
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.85
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.48
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.06
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 6.81
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.9
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.52
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.94
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 8.34
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 0.56
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.11
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.78
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Pd",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ga",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pd$_{3}$Ge@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd3Ge"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.01
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.99
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.58
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": -0.16
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 6.31
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.9
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.52
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.94
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 8.34
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 0.56
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.16
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.78
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Pd",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ge",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pd$_{3}$Y@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd3Y"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.82
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.51
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.31
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 1.45
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 7.46
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.9
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.52
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.94
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 8.34
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 0.56
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.78
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Pd",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Y",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pd$_{3}$Zr@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd3Zr"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.89
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.17
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.51
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 1.09
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 5.32
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.9
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.52
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.94
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 8.34
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 0.56
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.78
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Pd",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Zr",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pd$_{3}$Nb@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd3Nb"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.8
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.92
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -2.59
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.58
        },
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
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          "value": 0.87
        },
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      },
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        "name": "Kurtosis of a d-band",
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          "value": 4.56
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.9
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.52
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        "units": "$\\AA$",
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      },
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        "name": "Spatial extent of d-orbitals",
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          "value": 0.94
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      },
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        "name": "Ionization potential",
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          "value": 8.34
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      },
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        "name": "Electron affinity",
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          "value": 0.56
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        "units": "eV",
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      },
      {
        "name": "Pauling electronegativity",
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          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 2.05
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 2.78
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        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Pd",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Nb",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pd$_{3}$Mo@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
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          "value": "Pd"
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      },
      {
        "name": "Bulk formula",
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          "value": "Pd3Mo"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.94
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
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          "value": 0.92
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -2.36
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.56
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        "units": "eV",
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      },
      {
        "name": "Skewness of a d-band ",
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          "value": 0.64
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      },
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        "name": "Kurtosis of a d-band",
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          "value": 4.07
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.9
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.52
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.94
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        "units": "$\\AA$",
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      },
      {
        "name": "Ionization potential",
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          "value": 8.34
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        "units": "eV",
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      },
      {
        "name": "Electron affinity",
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          "value": 0.56
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.19
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 2.78
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        "dataType": "COMPUTATIONAL"
      }
    ],
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      {
        "element": "Pd",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Mo",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pd$_{3}$Rh@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd3Rh"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.24
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.92
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.82
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.41
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
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          "value": 0.32
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 3.84
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.9
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.52
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.94
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        "units": "$\\AA$",
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      },
      {
        "name": "Ionization potential",
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          "value": 8.34
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        "units": "eV",
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      },
      {
        "name": "Electron affinity",
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          "value": 0.56
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.22
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.78
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        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Pd",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Rh",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pd$_{3}$Pd@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd3Pd"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.28
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.92
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.67
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.36
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
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          "value": 0.23
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 3.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.9
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.52
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.94
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 8.34
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
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          "value": 0.56
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.78
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Pd",
        "idealAtomicPercent": 1.0
      }
    ]
  },
  {
    "name": [
      "Pd$_{3}$Ag@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd3Ag"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.53
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.29
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
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          "value": 0.15
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 4.68
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.9
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.52
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.94
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 8.34
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
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          "value": 0.56
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.14
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.78
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Pd",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ag",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pd$_{3}$In@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd3In"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.14
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.66
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.39
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": -0.47
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 13.27
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.9
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.52
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.94
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 8.34
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 0.56
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.1
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.78
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Pd",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "In",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pd$_{3}$Sn@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd3Sn"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.02
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.79
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.43
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.11
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 6.88
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.9
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.52
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.94
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 8.34
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 0.56
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.14
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.78
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Pd",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Sn",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pd$_{3}$La@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd3La"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.8
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.48
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.25
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
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          "value": 1.59
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 8.21
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.9
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.52
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.94
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 8.34
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 0.56
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.89
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.78
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Pd",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "La",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pd$_{3}$Ta@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd3Ta"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.76
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.91
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.76
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.67
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.92
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 4.73
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.9
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.52
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.94
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 8.34
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 0.56
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.02
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.78
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Pd",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ta",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pd$_{3}$W@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd3W"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.83
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.91
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.67
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.68
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.71
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 4.16
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.9
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.52
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.94
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 8.34
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 0.56
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.23
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.78
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Pd",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "W",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pd$_{3}$Re@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd3Re"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.93
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.92
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.45
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.65
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.47
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 3.74
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.9
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.52
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.94
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 8.34
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 0.56
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.13
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.78
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Pd",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Re",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pd$_{3}$Os@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd3Os"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.08
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.92
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.2
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.59
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.32
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 3.61
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.9
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.52
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.94
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 8.34
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 0.56
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.78
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Pd",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Os",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pd$_{3}$Ir@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd3Ir"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.2
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
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        "name": "Filling of a d-band",
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          "value": 0.92
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      },
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        "name": "Center of a d-band",
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          "value": -1.93
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.5
        },
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Skewness of a d-band ",
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          "value": 0.2
        },
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      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 3.75
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Work function",
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          "value": 5.9
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        "units": "eV",
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      },
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        "name": "Atomic radius",
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          "value": 1.52
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        "units": "$\\AA$",
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        "name": "Spatial extent of d-orbitals",
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          "value": 0.94
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 8.34
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      },
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        "name": "Electron affinity",
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          "value": 0.56
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.78
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Pd",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ir",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pd$_{3}$Pt@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd3Pt"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.31
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
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          "value": 0.92
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -1.72
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.42
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
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          "value": 0.13
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 3.96
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.9
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.52
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.94
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        "units": "$\\AA$",
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      },
      {
        "name": "Ionization potential",
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          "value": 8.34
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
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          "value": 0.56
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.22
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.78
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        "dataType": "COMPUTATIONAL"
      }
    ],
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      {
        "element": "Pd",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Pt",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pd$_{3}$Au@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd3Au"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.34
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.93
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.54
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.35
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
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          "value": 0.02
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 4.63
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.9
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        "units": "eV",
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      },
      {
        "name": "Atomic radius",
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          "value": 1.52
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.94
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        "units": "$\\AA$",
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      },
      {
        "name": "Ionization potential",
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          "value": 8.34
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        "units": "eV",
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      },
      {
        "name": "Electron affinity",
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          "value": 0.56
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 2.27
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 2.78
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        "dataType": "COMPUTATIONAL"
      }
    ],
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      {
        "element": "Pd",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Au",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pd$_{3}$Tl@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd3Tl"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.23
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.93
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.57
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.37
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
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          "value": -0.62
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 12.3
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.9
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.52
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 0.94
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 8.34
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        "units": "eV",
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      },
      {
        "name": "Electron affinity",
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          "value": 0.56
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 2.06
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.78
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Pd",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Tl",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pd$_{3}$Pb@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd3Pb"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.04
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.93
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.59
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.33
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
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          "value": -0.11
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 9.09
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 5.9
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.52
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.94
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 8.34
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 0.56
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.23
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.78
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Pd",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Pb",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pd$_{3}$Bi@Pd"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pd"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pd3Bi"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -0.99
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.94
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.86
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.42
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": -0.57
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 11.88
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 5.9
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.52
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 0.94
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 8.34
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 0.56
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.16
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 2.78
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Pd",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Bi",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pt$_{3}$Sc@Pt"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
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            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
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          "value": "Pt"
        }
      },
      {
        "name": "Bulk formula",
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          "value": "Pt3Sc"
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      },
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        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -1.23
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          "value": 0.89
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      },
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      },
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        "name": "Width of a d-band",
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          "value": 1.83
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        "name": "Skewness of a d-band ",
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        "name": "Kurtosis of a d-band",
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        "name": "Work function",
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        "name": "Atomic radius",
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        "name": "Ionization potential",
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        "name": "Electron affinity",
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        "name": "Pauling electronegativity",
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          "value": 2.28
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Local Pauling electronegativity",
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      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 3.9
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      {
        "element": "Pt",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Sc",
        "idealAtomicPercent": 0.2
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    ]
  },
  {
    "name": [
      "Pt$_{3}$Ti@Pt"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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          "value": "Pt"
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      },
      {
        "name": "Bulk formula",
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          "value": "Pt3Ti"
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      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -1.31
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        "name": "Filling of a d-band",
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        "name": "Center of a d-band",
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        "name": "Width of a d-band",
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        "name": "Skewness of a d-band ",
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          "value": 0.56
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        "name": "Kurtosis of a d-band",
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        "name": "Work function",
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        "name": "Atomic radius",
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        "name": "Spatial extent of d-orbitals",
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        "name": "Ionization potential",
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        "name": "Electron affinity",
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        "name": "Pauling electronegativity",
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          "value": 2.28
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Local Pauling electronegativity",
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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      {
        "element": "Pt",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ti",
        "idealAtomicPercent": 0.2
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    ]
  },
  {
    "name": [
      "Pt$_{3}$V@Pt"
    ],
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
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          "value": "Pt"
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      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pt3V"
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      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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        "name": "Width of a d-band",
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        "name": "Kurtosis of a d-band",
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        "name": "Ionization potential",
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        "name": "Pauling electronegativity",
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        "name": "Local Pauling electronegativity",
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Pt",
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      {
        "element": "V",
        "idealAtomicPercent": 0.2
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    ]
  },
  {
    "name": [
      "Pt$_{3}$Cr@Pt"
    ],
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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          "value": "Pt"
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      },
      {
        "name": "Bulk formula",
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      },
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        "name": "Binding energy of adsorbed CO on a metal surface",
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        "name": "Filling of a d-band",
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        "name": "Width of a d-band",
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        "name": "Pauling electronegativity",
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        "name": "Local Pauling electronegativity",
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Pt",
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      {
        "element": "Cr",
        "idealAtomicPercent": 0.2
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    ]
  },
  {
    "name": [
      "Pt$_{3}$Co@Pt"
    ],
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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          "value": "Pt"
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      },
      {
        "name": "Bulk formula",
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          "value": "Pt3Co"
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      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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        "name": "Filling of a d-band",
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      },
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        "name": "Center of a d-band",
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        "name": "Width of a d-band",
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        "name": "Kurtosis of a d-band",
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      },
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        "name": "Work function",
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        "name": "Atomic radius",
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        "name": "Spatial extent of d-orbitals",
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        "name": "Ionization potential",
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        "units": "eV",
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      },
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        "name": "Pauling electronegativity",
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          "value": 2.28
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Local Pauling electronegativity",
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      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "dataType": "COMPUTATIONAL"
      }
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      {
        "element": "Pt",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Co",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pt$_{3}$Ni@Pt"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
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          "value": "Pt"
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      },
      {
        "name": "Bulk formula",
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          "value": "Pt3Ni"
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      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -1.51
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        "units": "eV",
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      },
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        "name": "Filling of a d-band",
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          "value": 0.88
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -2.16
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
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          "value": 1.91
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      },
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        "name": "Skewness of a d-band ",
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      },
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        "name": "Kurtosis of a d-band",
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      },
      {
        "name": "Work function",
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        "units": "eV",
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      },
      {
        "name": "Atomic radius",
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      },
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        "name": "Spatial extent of d-orbitals",
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      },
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        "name": "Ionization potential",
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      },
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        "name": "Electron affinity",
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        "units": "eV",
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      },
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        "name": "Pauling electronegativity",
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          "value": 2.28
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 2.19
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      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 3.9
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Pt",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ni",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pt$_{3}$Cu@Pt"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pt"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pt3Cu"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.44
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.88
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.03
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.88
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.26
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 3.61
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 6.74
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.53
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 1.04
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 9.0
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 2.13
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.28
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.19
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 3.9
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Pt",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Cu",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pt$_{3}$Zn@Pt"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pt"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pt3Zn"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.38
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.89
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.03
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.86
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.21
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 4.1
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 6.74
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.53
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 1.04
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 9.0
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 2.13
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.28
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.12
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 3.9
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Pt",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Zn",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pt$_{3}$Ga@Pt"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pt"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pt3Ga"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.48
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.89
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.12
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.95
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.15
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 4.66
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 6.74
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.53
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 1.04
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 9.0
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 2.13
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.28
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.17
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 3.9
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Pt",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ga",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pt$_{3}$Ge@Pt"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pt"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pt3Ge"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.52
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.89
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.29
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 2.01
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.03
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 4.67
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 6.74
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.53
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 1.04
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 9.0
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 2.13
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.28
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.22
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 3.9
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Pt",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ge",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pt$_{3}$Y@Pt"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pt"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pt3Y"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.24
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.89
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.71
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.68
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.91
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 5.1
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 6.74
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.53
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 1.04
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 9.0
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 2.13
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.28
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 1.98
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 3.9
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Pt",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Y",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pt$_{3}$Zr@Pt"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pt"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pt3Zr"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.33
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.89
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -2.19
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.89
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": 0.72
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 3.97
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 6.74
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.53
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 1.04
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 9.0
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 2.13
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.28
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.02
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 3.9
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Pt",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Zr",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pt$_{3}$Nb@Pt"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pt"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pt3Nb"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.2
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      },
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        "name": "Filling of a d-band",
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          "value": 0.88
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      },
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        "name": "Center of a d-band",
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          "value": -2.59
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 2.01
        },
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
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          "value": 0.61
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 3.61
        },
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      },
      {
        "name": "Work function",
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          "value": 6.74
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.53
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 1.04
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 9.0
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      },
      {
        "name": "Electron affinity",
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          "value": 2.13
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 2.28
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 2.11
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 3.9
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Pt",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Nb",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pt$_{3}$Mo@Pt"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pt"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pt3Mo"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -1.32
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        "name": "Filling of a d-band",
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          "value": 0.88
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      },
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        "name": "Center of a d-band",
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          "value": -2.55
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      },
      {
        "name": "Width of a d-band",
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          "value": 2.0
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        "name": "Skewness of a d-band ",
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          "value": 0.48
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        "name": "Kurtosis of a d-band",
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          "value": 3.41
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      },
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        "name": "Work function",
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          "value": 6.74
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        "name": "Atomic radius",
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          "value": 1.53
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        "name": "Spatial extent of d-orbitals",
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        "name": "Ionization potential",
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        "name": "Electron affinity",
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          "value": 2.13
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        "name": "Pauling electronegativity",
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          "value": 2.28
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 2.25
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      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 3.9
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      {
        "element": "Pt",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Mo",
        "idealAtomicPercent": 0.2
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    ]
  },
  {
    "name": [
      "Pt$_{3}$Ru@Pt"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pt"
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      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pt3Ru"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -1.57
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        "name": "Filling of a d-band",
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          "value": 0.88
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      },
      {
        "name": "Center of a d-band",
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          "value": -2.22
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      },
      {
        "name": "Width of a d-band",
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          "value": 1.91
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        "name": "Skewness of a d-band ",
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          "value": 0.28
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        "name": "Kurtosis of a d-band",
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          "value": 3.39
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      },
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        "name": "Work function",
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          "value": 6.74
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        "units": "eV",
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      },
      {
        "name": "Atomic radius",
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          "value": 1.53
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        "units": "$\\AA$",
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      },
      {
        "name": "Spatial extent of d-orbitals",
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        "name": "Ionization potential",
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        "name": "Electron affinity",
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          "value": 2.13
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        "units": "eV",
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      },
      {
        "name": "Pauling electronegativity",
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          "value": 2.28
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 2.26
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 3.9
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        "dataType": "COMPUTATIONAL"
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      {
        "element": "Pt",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ru",
        "idealAtomicPercent": 0.2
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    ]
  },
  {
    "name": [
      "Pt$_{3}$Rh@Pt"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pt"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pt3Rh"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -1.61
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        "units": "eV",
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      },
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        "name": "Filling of a d-band",
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          "value": 0.88
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -2.12
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        "units": "eV",
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      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.87
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      },
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        "name": "Skewness of a d-band ",
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      },
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        "name": "Kurtosis of a d-band",
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      },
      {
        "name": "Work function",
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          "value": 6.74
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        "name": "Atomic radius",
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          "value": 1.53
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        "units": "$\\AA$",
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      },
      {
        "name": "Spatial extent of d-orbitals",
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      {
        "name": "Ionization potential",
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          "value": 9.0
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      },
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        "name": "Electron affinity",
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          "value": 2.13
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        "units": "eV",
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      },
      {
        "name": "Pauling electronegativity",
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          "value": 2.28
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "dataType": "COMPUTATIONAL"
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      {
        "element": "Pt",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Rh",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pt$_{3}$Pd@Pt"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pt"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pt3Pd"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.65
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
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          "value": 0.88
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -1.97
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.81
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      },
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        "name": "Skewness of a d-band ",
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          "value": 0.22
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      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 3.6
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 6.74
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.53
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 1.04
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 9.0
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
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          "value": 2.13
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 2.28
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 2.26
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 3.9
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Pt",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Pd",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pt$_{3}$Ag@Pt"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pt"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pt3Ag"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.58
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.89
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -1.79
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.74
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
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          "value": 0.18
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 4.01
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 6.74
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.53
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 1.04
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 9.0
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 2.13
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 2.28
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 2.2
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 3.9
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Pt",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Ag",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pt$_{3}$In@Pt"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pt"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pt3In"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.45
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.89
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        "name": "Width of a d-band",
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        "name": "Kurtosis of a d-band",
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        "name": "Ionization potential",
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        "name": "Pauling electronegativity",
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          "value": 2.28
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Local Pauling electronegativity",
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          "value": 2.16
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      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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      {
        "element": "Pt",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "In",
        "idealAtomicPercent": 0.2
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    ]
  },
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    "name": [
      "Pt$_{3}$Sn@Pt"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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          "value": "Pt"
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      },
      {
        "name": "Bulk formula",
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          "value": "Pt3Sn"
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        "name": "Binding energy of adsorbed CO on a metal surface",
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        "name": "Pauling electronegativity",
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        "name": "Local Pauling electronegativity",
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Pt",
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      {
        "element": "Sn",
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  },
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    "name": [
      "Pt$_{3}$La@Pt"
    ],
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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          "value": "Pt"
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      },
      {
        "name": "Bulk formula",
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          "value": "Pt3La"
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        "name": "Binding energy of adsorbed CO on a metal surface",
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        "name": "Pauling electronegativity",
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        "name": "Local Pauling electronegativity",
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Pt",
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      {
        "element": "La",
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  },
  {
    "name": [
      "Pt$_{3}$Ta@Pt"
    ],
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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          "value": "Pt"
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      },
      {
        "name": "Bulk formula",
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          "value": "Pt3Ta"
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        "name": "Binding energy of adsorbed CO on a metal surface",
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        "name": "Pauling electronegativity",
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        "name": "Local Pauling electronegativity",
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "element": "Pt",
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        "element": "Ta",
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  {
    "name": [
      "Pt$_{3}$W@Pt"
    ],
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      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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          "value": "Pt"
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      },
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        "name": "Bulk formula",
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        "name": "Binding energy of adsorbed CO on a metal surface",
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        "name": "Filling of a d-band",
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      },
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        "name": "Center of a d-band",
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      },
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        "name": "Width of a d-band",
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        "name": "Kurtosis of a d-band",
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      },
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        "name": "Work function",
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        "name": "Atomic radius",
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        "name": "Spatial extent of d-orbitals",
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        "name": "Ionization potential",
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        "name": "Pauling electronegativity",
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          "value": 2.28
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Local Pauling electronegativity",
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      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "dataType": "COMPUTATIONAL"
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      {
        "element": "Pt",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "W",
        "idealAtomicPercent": 0.2
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    ]
  },
  {
    "name": [
      "Pt$_{3}$Re@Pt"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
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          "value": "Pt"
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      },
      {
        "name": "Bulk formula",
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          "value": "Pt3Re"
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      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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      },
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        "name": "Filling of a d-band",
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          "value": 0.87
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Center of a d-band",
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          "value": -2.58
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        "units": "eV",
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      },
      {
        "name": "Width of a d-band",
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          "value": 2.1
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        "name": "Skewness of a d-band ",
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      },
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        "name": "Kurtosis of a d-band",
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      },
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        "name": "Work function",
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        "name": "Atomic radius",
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        "name": "Spatial extent of d-orbitals",
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        "name": "Ionization potential",
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        "name": "Electron affinity",
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        "units": "eV",
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        "name": "Pauling electronegativity",
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          "value": 2.28
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Local Pauling electronegativity",
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      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 3.9
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        "dataType": "COMPUTATIONAL"
      }
    ],
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      {
        "element": "Pt",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Re",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pt$_{3}$Os@Pt"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
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          "value": "Pt"
        }
      },
      {
        "name": "Bulk formula",
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          "value": "Pt3Os"
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      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -1.51
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
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        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -2.4
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
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          "value": 2.03
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      },
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        "name": "Skewness of a d-band ",
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          "value": 0.27
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        "name": "Kurtosis of a d-band",
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        "name": "Work function",
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          "value": 6.74
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        "name": "Atomic radius",
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          "value": 1.53
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          "value": 1.04
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        "name": "Ionization potential",
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          "value": 9.0
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        "name": "Electron affinity",
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          "value": 2.13
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        "units": "eV",
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      },
      {
        "name": "Pauling electronegativity",
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          "value": 2.28
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 2.26
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 3.9
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    ],
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      {
        "element": "Pt",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Os",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pt$_{3}$Ir@Pt"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pt"
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      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pt3Ir"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -1.62
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        "name": "Filling of a d-band",
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          "value": 0.88
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        "name": "Center of a d-band",
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          "value": -2.18
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      },
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        "name": "Width of a d-band",
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          "value": 1.95
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          "value": 0.2
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        "name": "Kurtosis of a d-band",
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        "name": "Work function",
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        "name": "Atomic radius",
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        "name": "Spatial extent of d-orbitals",
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        "name": "Electron affinity",
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        "name": "Pauling electronegativity",
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          "value": 2.28
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      },
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        "name": "Local Pauling electronegativity",
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        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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      {
        "element": "Pt",
        "idealAtomicPercent": 0.8
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      {
        "element": "Ir",
        "idealAtomicPercent": 0.2
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    ]
  },
  {
    "name": [
      "Pt$_{3}$Pt@Pt"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
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          "value": "Pt"
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      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pt3Pt"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -1.7
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        "name": "Filling of a d-band",
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      },
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        "name": "Center of a d-band",
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      },
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        "name": "Width of a d-band",
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          "value": 1.87
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        "name": "Skewness of a d-band ",
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          "value": 0.17
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        "name": "Kurtosis of a d-band",
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        "name": "Work function",
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          "value": 6.74
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        "name": "Atomic radius",
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          "value": 1.53
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        "name": "Spatial extent of d-orbitals",
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        "name": "Ionization potential",
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        "name": "Electron affinity",
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          "value": 2.13
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        "units": "eV",
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      },
      {
        "name": "Pauling electronegativity",
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          "value": 2.28
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        "dataType": "COMPUTATIONAL"
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        "name": "Local Pauling electronegativity",
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        "dataType": "COMPUTATIONAL"
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      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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    "composition": [
      {
        "element": "Pt",
        "idealAtomicPercent": 1.0
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    ]
  },
  {
    "name": [
      "Pt$_{3}$Au@Pt"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pt"
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      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pt3Au"
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      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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        "name": "Filling of a d-band",
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          "value": 0.89
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        "dataType": "COMPUTATIONAL"
      },
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        "name": "Center of a d-band",
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          "value": -1.8
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      },
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        "name": "Width of a d-band",
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          "value": 1.77
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        "name": "Skewness of a d-band ",
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        "name": "Kurtosis of a d-band",
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        "name": "Atomic radius",
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        "name": "Spatial extent of d-orbitals",
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        "name": "Ionization potential",
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        "name": "Electron affinity",
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        "units": "eV",
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      {
        "name": "Pauling electronegativity",
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          "value": 2.28
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 2.34
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      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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        "dataType": "COMPUTATIONAL"
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        "element": "Pt",
        "idealAtomicPercent": 0.8
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      {
        "element": "Au",
        "idealAtomicPercent": 0.2
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    ]
  },
  {
    "name": [
      "Pt$_{3}$Tl@Pt"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pt"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pt3Tl"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -1.56
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        "units": "eV",
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      },
      {
        "name": "Filling of a d-band",
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          "value": 0.89
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -1.77
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        "units": "eV",
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      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.76
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      },
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        "name": "Skewness of a d-band ",
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          "value": -0.3
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      },
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        "name": "Kurtosis of a d-band",
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          "value": 7.25
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 6.74
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
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          "value": 1.53
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 1.04
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        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
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          "value": 9.0
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
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          "value": 2.13
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 2.28
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 2.11
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 3.9
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
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    "composition": [
      {
        "element": "Pt",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Tl",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pt$_{3}$Pb@Pt"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
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      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pt"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pt3Pb"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
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          "value": -1.43
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
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          "value": 0.9
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
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          "value": -1.81
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.69
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        "units": "eV",
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      },
      {
        "name": "Skewness of a d-band ",
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          "value": 0.02
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      },
      {
        "name": "Kurtosis of a d-band",
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          "value": 5.88
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
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          "value": 6.74
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        "units": "eV",
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      },
      {
        "name": "Atomic radius",
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          "value": 1.53
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        "units": "$\\AA$",
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      },
      {
        "name": "Spatial extent of d-orbitals",
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          "value": 1.04
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      },
      {
        "name": "Ionization potential",
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          "value": 9.0
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        "units": "eV",
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      },
      {
        "name": "Electron affinity",
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          "value": 2.13
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
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          "value": 2.28
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
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          "value": 2.29
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
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          "value": 3.9
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Pt",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Pb",
        "idealAtomicPercent": 0.2
      }
    ]
  },
  {
    "name": [
      "Pt$_{3}$Bi@Pt"
    ],
    "references": [
      {
        "doi": "10.1021/acs.jpclett.5b01660",
        "url": "http://pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01660",
        "title": "Machine-Learning-Augmented Chemisorption Model for CO$_{2}$ Electroreduction Catalyst Screening",
        "journal": "J. Phys. Chem. Lett.",
        "volume": "6",
        "issue": "18",
        "year": "2015",
        "authors": [
          {
            "given": "Xianfeng",
            "family": "Ma"
          },
          {
            "given": "Zheng",
            "family": "Li"
          },
          {
            "given": "Luke E. K.",
            "family": "Achenie"
          },
          {
            "tags": "*",
            "given": "Hongliang",
            "family": "Xin"
          }
        ]
      }
    ],
    "properties": [
      {
        "name": "Top monolayer formula",
        "scalars": {
          "value": "Pt"
        }
      },
      {
        "name": "Bulk formula",
        "scalars": {
          "value": "Pt3Bi"
        }
      },
      {
        "name": "Binding energy of adsorbed CO on a metal surface",
        "scalars": {
          "value": -1.46
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Filling of a d-band",
        "scalars": {
          "value": 0.9
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Center of a d-band",
        "scalars": {
          "value": -1.91
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Width of a d-band",
        "scalars": {
          "value": 1.73
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        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Skewness of a d-band ",
        "scalars": {
          "value": -0.22
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        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Kurtosis of a d-band",
        "scalars": {
          "value": 7.63
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Work function",
        "scalars": {
          "value": 6.74
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Atomic radius",
        "scalars": {
          "value": 1.53
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Spatial extent of d-orbitals",
        "scalars": {
          "value": 1.04
        },
        "units": "$\\AA$",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Ionization potential",
        "scalars": {
          "value": 9.0
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Electron affinity",
        "scalars": {
          "value": 2.13
        },
        "units": "eV",
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Pauling electronegativity",
        "scalars": {
          "value": 2.28
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Local Pauling electronegativity",
        "scalars": {
          "value": 2.22
        },
        "dataType": "COMPUTATIONAL"
      },
      {
        "name": "Adsorbate-metal interatomic d coupling matrix element squared",
        "scalars": {
          "value": 3.9
        },
        "dataType": "COMPUTATIONAL"
      }
    ],
    "category": "system.chemical",
    "composition": [
      {
        "element": "Pt",
        "idealAtomicPercent": 0.8
      },
      {
        "element": "Bi",
        "idealAtomicPercent": 0.2
      }
    ]
  }
]