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PyXtal

symmetrystructure-generationcrystallographypythonopen-source-code
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Python code to generate atomic structures with symmetry, useful for crystal generation and structure enumeration.

Citation: MaterSim/PyXtal. Open-source code repository. https://github.com/MaterSim/PyXtal

Acknowledgement: Curated by MaterialsAtlas Open Resources from public project metadata and maintainer repositories.

TypeCode
DomainCrystal structure generation
LicenseMIT
ContributorsMaterSim