Spglib

Openness:3 ★★★
Document quality:2 ★★☆

A library related to the symmetry of crystal structures. By providing a crystal structure, Spglib can detect information related to the symmetry of the structure, such as symmetry operations, a space group and a primitive cell. It can also generate irreducible wave numbers. Spglib is written in C, but various interfaces are available, including Python, Fortran, and Rust.

Information
Last Update:2025/05/28

Official site

https://spglib.readthedocs.io/en/stable/index.html

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License

BSD-3-Clause

Availability	C, Python, Fortran, Rust, Ruby, Julia
Core Developers	Main developers (As of Feb. 2025) Atsushi Togo Kohei Shinohara Cristian Le https://github.com/spglib/spglib/graphs/contributors
Document	A. Togo, K. Shinohara and I. Tanaka, “Spglib: a software library for crystal symmetry search”, Sci. Technol. Adv. Mater., Meth. 4, 2384822-2384836 (2024) K. Shinohara, A. Togo, and I. Tanaka, “Algorithms for magnetic symmetry operation search and identification of magnetic space group from magnetic crystal structure”, Acta Cryst. A 79, 390-398 (2023)

Availability

C, Python, Fortran, Rust, Ruby, Julia

Core Developers

Main developers (As of Feb. 2025)

https://github.com/spglib/spglib/graphs/contributors

Document

A. Togo, K. Shinohara and I. Tanaka, “Spglib: a software library for crystal symmetry search”, Sci. Technol. Adv. Mater., Meth. 4, 2384822-2384836 (2024)
K. Shinohara, A. Togo, and I. Tanaka, “Algorithms for magnetic symmetry operation search and identification of magnetic space group from magnetic crystal structure”, Acta Cryst. A 79, 390-398 (2023)

Information Last Update:2025/05/28

Official site

License

Information
Last Update:2025/05/28