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Gap-2k — Band gaps of semiconductors & insulators

Gap-2k contains 2,048 periodic structures, referenced against GW + experiment (separate columns), released as r2025.3. It scores Band gap (GW ref) (eV), Band gap (experimental ref) (eV).

Reference generation: G0W0@PBE VASP 6.5, 400 eV, Γ-centered 0.18 Å⁻¹; experimental gaps from curated literature

Provenance: Derived from public GW databases + experiment; licenses on suite page