Thermodynamic subset of the Alexandria PBEsol database containing ground-state energy, formation energy, and stability distance values relative to the convex hull. Excellent for fast phase stability checks.
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Thermodynamic subset of the Alexandria PBEsol database containing ground-state energy, formation energy, and stability distance values relative to the convex hull. Excellent for fast phase stability checks.
High-throughput computational database of structural geometries and thermodynamic properties of materials optimized using Density Functional Theory with the SCAN exchange-correlation functional.
High-throughput database of DFT-calculated thermodynamic and structural properties of materials. Used widely for hull/formation-energy benchmarking and composition-space enrichment.