概要
Pymatgen (Python Materials Genomics) is a robust open-source library used for materials analysis, powering the Materials Project. This skill enables Claude to manipulate crystal structures and molecules, perform format conversions (CIF, POSCAR, XYZ), and analyze electronic structures such as band structures and density of states (DOS). It is ideal for researchers needing to compute phase diagrams, identify symmetry, generate surfaces, or interact programmatically with the Materials Project database to accelerate materials discovery and computational workflows.
