This database includes DFT calculations on a large number of metallic compounds, energy materials, and also mechanical properties of many materials. You can search through the results from all four consortia, and use their data as input to predictive machine learning to estimate other materials properties. For example, you could utilize these datasets within Citrination to instantly estimate the hardness of any precipitate phase in any alloy system. These groups have invested hundreds of millions of CPU-hours running their carefully-tuned and automated simulations; Citrination puts the resulting insights in your hands. Records:35,952 Top properties: Band gap DensityTotal magnetization