luoxs/mp_20

MP-20 MP-20 contains 45231 general inorganic materials that differ in both structure and composition. There are 89 elements and the materials have 1 - 20 atoms in the unit cells. MP-20 includes most experimentally known materials with no more than 20 atoms in unit cell. What is in the dataset MP-20 includes almost all experimentally stable materials from the Materials Project (Jain et al., 2013) with unit cells including at most 20 atoms. We only include materials… See the full description on the dataset page: https://huggingface.co/datasets/luoxs/mp_20.