OQMD: Open Quantum Materials Database (1.4M)

The OQMD is a database containing DFT-calculated thermodynamic and structural properties for over 1.4 million materials. It offers tools for searching, querying, and analyzing material compositions, visualizing crystal structures, and accessing data via an OPTIMADE API.

Citation: Shen, Jiahong, Sean D. Griesemer, Abhijith Gopakumar, Bianca Baldassarri, James E. Saal, Muratahan Aykol, Vinay I. Hegde, and Chris Wolverton. "Reflections on one million compounds in the open quantum materials database (OQMD)." Journal of Physics: Materials 5, no. 3 (2022): 031001.

Acknowledgement: Jiahong Shen, Sean D Griesemer, Abhijith Gopakumar, Bianca Baldassarri, James E Saal, Muratahan Aykol, Vinay I Hegde and Chris Wolverton