spglib ☆
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Description:
C library for finding and handling crystal symmetries
Type: Formula  |  Tracked Since: Dec 28, 2025
Links: Homepage  |  formulae.brew.sh
Category: Other
Tags: crystallography materials-science symmetry c-library scientific-computing
Install: brew install spglib
About:
Spglib is a C library for finding crystal symmetries and their corresponding transformations. It identifies space groups, symmetry operations, and primitive cells from crystal structure inputs. Its main value is providing a robust, high-performance foundation for materials science and solid-state chemistry applications.
Key Features:
  • Space group identification
  • Symmetry operation detection
  • Primitive cell search
  • Crystal structure refinement
  • C and Python APIs
Use Cases:
  • Identifying space groups from atomic coordinates
  • Finding symmetrically equivalent atoms
  • Generating primitive cells from conventional cells
  • Symmetry analysis in high-throughput materials screening
Alternatives:
  • PyMatgen – Broader Python materials science library; uses spglib internally for symmetry.
  • FindSym – Web-based tool; spglib is a programmatic library for integration.
Version History
Detected Version Rev Change Commit
Sep 15, 2025 10:33am 0 VERSION_BUMP 543deeea
Oct 26, 2024 9:53pm 1 VERSION_BUMP bb50549b
Sep 13, 2024 8:57pm 1 VERSION_BUMP 763a34e9
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