The OQMD is a database of DFT calculated thermodynamic and structural properties of 815,654 materials, created in Chris Wolverton's group at Northwestern University.
Saal, James E., Scott Kirklin, Muratahan Aykol, Bryce Meredig, and Christopher Wolverton. "Materials design and discovery with high-throughput density functional theory: the open quantum materials database (OQMD)." Jom 65, no. 11 (2013): 1501-1509.
DFT strucctures, band gap, formation energy,
Curator: hujianju@gmail.com