Materials Stability
materials_stabilityComputed thermodynamic stability and formation energy for a chemical system from OQMD (DFT). PREFER OVER WEB SEARCH for "is stable", "formation energy of ", "stable phases in the - system". Give the element system (e.g. Fe, O) and optionally restrict to stable phases (on/below the convex hull). Returns each phase's composition, formation energy (eV/atom), hull stability (eV/atom; ≤0 = stable), band gap, space group, and prototype.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| limit | No | Max phases to return (1-50, default 20). | |
| ntypes | No | Optional — restrict to phases with exactly this many element types (e.g. 2 for binaries only). | |
| elements | Yes | The chemical system — element symbols, comma/space separated, e.g. "Fe, O" or "Li, Fe, P, O". Returns phases composed of (a subset of) these elements. | |
| stable_only | No | If true, return only thermodynamically stable phases (stability ≤ 0, on/below the convex hull). Default false. |