By name: phase-diagram description: Phase Diagram Skills (2 sub-skills: convex-hull, pourbaix-diagram)
Phase Diagram Skills
Tools for thermodynamic and electrochemical phase stability analysis.
Available Skills
| Skill | Description |
|---|---|
| convex-hull | Thermodynamic convex hull construction, formation energies, energy above hull, decomposition products. Uses MP API and/or MACE-computed energies with pymatgen PhaseDiagram. |
| pourbaix-diagram | Pourbaix (potential-pH) diagrams for electrochemical stability. Identifies corrosion, passivation, and immunity regions using pymatgen PourbaixDiagram. |