OQMD Open Source Quantum Materials Dataset

The Open Quantum Materials Database (OQMD) is an open database designed to store and share quantum material data. The database was created by Chris Wolverton's research group at Northwestern University in the United States in 2015.The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies".

OQMD contains thermodynamic and structural properties of more than 1,226,781 materials calculated by density functional theory (DFT). The data in the database comes from the Inorganic Crystal Structure Database (ICSD), including DFT total energy calculations of nearly 300,000 compounds and modifications of common crystal structures.