What problem does it solve? Computational materials science requires juggling dozens of structure file formats, symmetry analysis, thermodynamic stability checks, and electronic structure post-processing. This Skill provides ready-to-use pymatgen workflows, scripts, and references so you can analyze materials and query the Materials Project without writing boilerplate from scratch. ## Core Features & Use Cases - Structure Handling and Conversion: Read, create, and convert between 100+ formats (CIF, POSCAR, XYZ) with automatic format detection and batch conversion scripts. - Thermodynamic and Electronic Analysis: Build phase diagrams, compute energy above hull, analyze band structures and DOS, and generate surfaces, slabs, and adsorption sites. - Materials Project Integration: Query the Materials Project database programmatically via mp-api to retrieve structures, entries, and computed properties. - Use Case: Given a POSCAR file, run the structure analyzer script to get symmetry, coordination environments, and lattice parameters, then generate a Li-Fe-O phase diagram and check whether LiFeO2 is stable against decomposition. ## Quick Start Ask the assistant to analyze the attached POSCAR file for symmetry and coordination environment using the pymatgen skill.
