This repository includes samples codes that extract Li coordination environment information referenced to a perfect tetrahedron or octahedron. Volume of the polyhedron, continuous symmetry measure (CSM) and coordinate will be provided. The detailed explanation of this sample code is provided in the following publication.
If you use this code, please consider citing K. Jun, Y. Sun, G. Ceder et al., "Lithium superionic conductors with corner-sharing frameworks", Nature Materials, 2022. https://www.nature.com/articles/s41563-022-01222-4