Garden's Almanac of Matter Models

materials

Materials Project structures

Materials Project (LBNL) · 2018

Constitution

Full nameMaterials Project structures
CuratorMaterials Project (LBNL)
Size~150k DFT-relaxed inorganic crystals (MP-2018 snapshot, growing)
DFT levelPBE; PBE+U for selected TM oxides; VASP
Released2018
LicenseCC-BY 4.0
DOIhttps://doi.org/10.1063/1.4812323
Primary paperJain et al., Commentary: The Materials Project, APL Materials 1:011002 (2013).