Supercell program: a combinatorial structure-generation approach for the local-level modeling of atomic substitutions and partial occupancies in crystals

Kirill Okhotnikov1, Thibault Charpentier1, Sylvian Cadars2
1NIMBE, CEA, CNRS, Université Paris-Saclay, CEA Saclay, 91191, Gif-sur-Yvette, France
2CEMHTI - UPR3079 CNRS, Site Haute Température, 1D avenue de la Recherche Scientifique, 45071, Orléans Cedex 2, France

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