One, two and three component references from OQMD

GPAW calculations for 1, 2 and 3 component systems from convex hull of the OQMD database:

Please reference the following work if you use any of this data:

Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)

Saal, J. E., Kirklin, S., Aykol, M., Meredig, B., and Wolverton, C.

JOM 65, 1501-1509 (2013)

The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies

Kirklin, S., Saal, J.E., Meredig, B., Thompson, A., Doak, J.W., Aykol, M., Rühl, S. and Wolverton, C.

npj Computational Materials 1, 15010 (2015)

• Download reference state data: oqmd123.db

• Browse reference state data

Key-value pairs

key	description	unit
hform	Heat of formation	eV/atom
nspecies	Number of species
stoichiometry	Stoichiometry
uid	Unique name

How the data was created

Script for creating the database: create.py.