Materials Project Online Materials Database

The Materials Project is a large-scale open online materials database jointly initiated by the University of California, Berkeley and Lawrence Berkeley National Laboratory in 2011. The goal of this project is to use high-throughput first-principles calculations to provide comprehensive performance data, structural information, and computational simulation results for more than one million inorganic materials, thereby accelerating the discovery and innovation of new materials. The data in the database includes not only crystal structure and energy properties, but also detailed information such as electronic structure and thermodynamic properties, providing researchers with a rich material data resource. The related paper results are "Commentary: The Materials Project: A materials genome approach to accelerating materials innovation".

The data fields of Materials Project are very comprehensive. The MPDataDoc object contains 69 fields in total, covering material representation, optoelectronic properties, mechanical properties, physicochemical properties, stability and reactivity, thermodynamic properties, and magnetic properties. These fields provide researchers with detailed information describing material properties from different perspectives.