@pipeworx/oqmd
Connect: https://gateway.pipeworx.io/oqmd/mcp · Install: one-click buttons
Tools: 3
Tools
- search_materials — Search the Open Quantum Materials Database for DFT-computed inorganic materials by composition and/or constituent elements, with optional band-gap and thermodynamic-stability filters. Returns formatio
- get_material — Fetch a single OQMD material by its entry_id (e.g. 16525 = the Pbcn polymorph of Fe2O3). Returns formation energy (eV/atom), stability above hull, band gap, space group, prototype, cell volume, atom/e
- stable_phases — List the ground-state (on-hull) phases of a chemical system — the thermodynamically stable compounds in OQMD for a given set of elements. e.g. “Fe-O” returns FeO, Fe2O3, Fe3O4. Restricts to material
Tools
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get_material— Fetch a single OQMD material by its entry_id (e.g. 16525 = the Pbcn polymorph of Fe2O3). Returns formation energy (eV/atom), stability above hull, band gap, space group, prototype, cell volume, atom/e -
search_materials— Search the Open Quantum Materials Database for DFT-computed inorganic materials by composition and/or constituent elements, with optional band-gap and thermodynamic-stability filters. Returns formatio -
stable_phases— List the ground-state (on-hull) phases of a chemical system — the thermodynamically stable compounds in OQMD for a given set of elements. e.g. Fe-O returns FeO, Fe2O3, Fe3O4. Restricts to materials ma