Combinatorial enumeration of NaCl-type superstructures. Generates cation arrangements in cubic fragments (CF4 to CF108) with global/local valence balance. Reproduces γ-LiFeO₂, β-Li₂CuZrO₄, α-NaFeO₂, LiVO₂ structures.
scientific-computing solid-state-physics crystal-structure supercell materials-science structure-prediction structure-generator solid-state-chemistry superstructure combinatorial-analysis crystal-chemistry-education nacl-structure valence-balance cation-ordering combinatorial-modeling global-valence-balance cubic-fragment stoichiometry-generator cf32-and-cf108
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Updated
Jun 24, 2026 - C++