high-entropy-alloys
Free high-entropy alloy (HEA) and high-entropy oxide calculator: mixing entropy, atomic-size mismatch, VEC, Miedema enthalpy, and the canonical empirical phase-prediction rules. Python library, browser app, desktop app, and MCP server.
OVITO Python modifier to compute the Warren-Cowley parameters.
SHRY (Suite for High-throughput generation of models with atomic substitutions implemented by python) is a tool for generating unique ordered structures corresponding to a given disordered structure.
OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.
