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The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.

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

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The supercell program paper (open-access):

Okhotnikov, K., Charpentier, T., & Cadars, S. (2016). Supercell program: a combinatorial structure-generation approach for the local-level modeling of atomic substitutions and partial occupancies in crystals. Journal of Cheminformatics, 8(1), 17. https://jcheminf.springeropen.com/articles/10.1186/s13321-016-0129-3

Compiled program + manual:

https://orex.github.io/supercell/

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The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.

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  • C++ 53.2%
  • Perl 35.2%
  • Shell 8.0%
  • CMake 2.3%
  • C 1.3%