Large-scale database of crystal structures and property data of 3D materials computed using Density Functional Theory with the PBE exchange-correlation functional. Complements OQMD/JARVIS with different workflows and newer scale.
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Large-scale database of crystal structures and property data of 3D materials computed using Density Functional Theory with the PBE exchange-correlation functional. Complements OQMD/JARVIS with different workflows and newer scale.