Data Science & Analytics
AlterLab Pymatgen
Analyzes and manipulates materials with the pymatgen toolkit — crystal structures and molecules, phase diagrams and thermodynamic stability, electronic structure (band structures, DOS), surfaces and interfaces, and Materials Project database access. Use when working with crystal structures in materials science, converting between structure formats (CIF, POSCAR, XYZ), analyzing symmetry or space groups, computing phase diagrams, querying the Materials Project API, or handling VASP, Gaussian, or Quantum ESPRESSO output. Part of the AlterLab Academic Skills suite.
- Publisher / source
- AlterLab-IEU/AlterLab-Academic-Skills (found on the CSV list)
- Upstream record
- AlterLab-IEU/AlterLab-Academic-Skills
- Version
- Version 2
- Published
- Publication review
- Approved for publication
- Content fingerprint
e50975591f32daeb6d07c1ba649ac019084e1edf90d4d91ea690822007f9160b