rankings / suite / FormE-40k

FormE-40k — Formation energy of inorganic crystals

FormE-40k contains 40,000 periodic structures, referenced against r²SCAN, experimentally anchored, released as r2026.2. It scores Formation energy (meV/atom), Force MAE (meV/Å), Lattice parameters (%).

Reference generation: VASP 6.5, PAW r²SCAN, 520 eV, k-spacing 0.22 Å⁻¹, Metadynamics-free static; hull referenced to r²SCAN elemental fits + experimental ΔHf anchors

Provenance: Generated in-house; composition-deduped against MP/Alexandria (see contamination audit)