spglib

Library for finding space groups, symmetry operations, standardized cells, magnetic symmetry, and crystallographic equivalence, widely embedded in pymatgen, ASE, phonopy, and many materials workflows.

Citation: spglib. Materials science software/tool. https://spglib.readthedocs.io/

Acknowledgement: Curated by MaterialsAtlas Open Resources from official project pages, documentation, community usage, and common computational/experimental materials workflows.