OneScience-Group/mp20

MP-20 Dataset Description MP-20 is derived from the Materials Project database (Jain et al., 2013) and contains approximately 45,000 common inorganic materials. It covers most experimentally known materials with no more than 20 atoms in the unit cell. The data includes elemental compositions, CIF structures, space groups, formation energies per atom, DFT band gaps, bulk moduli, and magnetic densities. Source paper: A. Jain et al., Commentary: The Materials Project:… See the full description on the dataset page: https://huggingface.co/datasets/OneScience-Group/mp20.