seekpath
A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
Decision gist · record as of 2026-08-14
Yes. SeeK-path is actively maintained, has no known vulnerabilities, carries a permissive MIT license, and solves a well-defined problem in computational materials science. The low install friction and minimal dependencies make it a safe addition to materials simulation workflows. Install it if you routinely prepare band structure calculations.AI-flagged interpretation of the facts on this page — verify before relying
Before you install
- Requires a crystal structure object (typically from ASE or similar materials science library); seekpath itself does not parse structure files.
- Low friction: pure Python wheel with only numpy and spglib as runtime dependencies.
- Actively maintained with recent commits and no known vulnerabilities.
License · maintenance · safety
permissive license (permissive) — MIT license (permissive) means you can use, modify, and redistribute this package with minimal restrictions in both open-source and commercial projects.
last release 2026-01-31 (195 days) · last repo commit 2026-04-22 · 167 stars
0 known vulnerabilities (OSV.dev, 2026-08-14) · 626,149 downloads/mo, #5,691 on PyPI
Alternatives
Verify before relying
pip install seekpath
import seekpath
result = seekpath.get_path(structure)- Whether the package handles non-standard or disordered crystal structures gracefully.
- Performance characteristics for large supercells or high-complexity crystal systems.
- Availability and stability of the online Materials Cloud visualization tool mentioned in the description.
What it is and what it does
SeeK-path is a Python module that computes optimal band structure paths through the Brillouin zone for any crystal structure. It automatically detects the Bravais lattice type using spacegroup symmetry, assigns k-point labels following the HPKOT crystallographic convention, and suggests a standard band path for electronic structure calculations. The package handles systems without time-reversal or inversion symmetry correctly.
The module is designed for computational materials scientists and physicists preparing band structure calculations. It takes a crystal structure as input (typically from materials simulation software) and returns the high-symmetry k-points and recommended path, eliminating manual lookup of crystallographic conventions and reducing errors in band structure workflows.
Use it for
- Preparing band structure calculations by automatically generating k-point paths for DFT codes like VASP or Quantum ESPRESSO.
- Identifying high-symmetry points and their labels for any crystal structure without manual crystallographic lookup.
- Standardizing band structure workflows across different research groups by applying consistent HPKOT conventions.
- Detecting and handling symmetry-breaking systems (no inversion or time-reversal symmetry) correctly in band path generation.
- Visualizing primitive cells and Brillouin zones alongside computed band paths via the online Materials Cloud tool.
Worth the install?
AI-flagged interpretation of the facts on this page. Verify before relying on it.
Yes.
SeeK-path is actively maintained, has no known vulnerabilities, carries a permissive MIT license, and solves a well-defined problem in computational materials science. The low install friction and minimal dependencies make it a safe addition to materials simulation workflows. Install it if you routinely prepare band structure calculations.
Install
seekpath on PyPI
Before you install
Low friction: pure Python wheel with only numpy and spglib as runtime dependencies. Actively maintained with recent commits and no known vulnerabilities.
Requires a crystal structure object (typically from ASE or similar materials science library); seekpath itself does not parse structure files.
License in practice
MIT license (permissive) means you can use, modify, and redistribute this package with minimal restrictions in both open-source and commercial projects.
Quickstart
pip install seekpath
import seekpath
result = seekpath.get_path(structure)Verify before relying
- Whether the package handles non-standard or disordered crystal structures gracefully.
- Performance characteristics for large supercells or high-complexity crystal systems.
- Availability and stability of the online Materials Cloud visualization tool mentioned in the description.
Package facts
| License | permissive license permissive |
| Python support | Supports the current Python release >=3.8 |
| Install friction | Low. Pure-Python wheel |
| Runtime dependencies | 2 packagesnumpyspglib |
| Maintenance | Actively maintained 195 days since the last release |
| Last repo commit | |
| First released | |
| Downloads | 626,149 / month, #5,691 on PyPI 30-day window, as of 2026-08-14 |
| Known vulnerabilities | None known OSV.dev, checked 2026-08-14 |
| Classifiers | License :: OSI Approved :: MIT LicenseOperating System :: OS IndependentProgramming Language :: Python :: 3Programming Language :: Python :: 3.10Programming Language :: Python :: 3.11Programming Language :: Python :: 3.12Programming Language :: Python :: 3.8Programming Language :: Python :: 3.9Topic :: Scientific/Engineering :: ChemistryTopic :: Scientific/Engineering :: PhysicsTopic :: Software Development :: Libraries :: Python Modules |
Evidence: seekpath-2.2.1-py3-none-any.whl
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