About Oqmd
Oqmd is an MCP server published by pipeworx-io in the Data category: oQMD (Open Quantum Materials Database) MCP.
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Install
From source
git clone https://github.com/pipeworx-io/mcp-oqmdThis server has no ConduID identity, so agent calls to it are not receipted. Pin the version you install and review the source before granting it credentials.
Tools (3)
get_materialFetch 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/element counts, ICSD id, and generic composition. Keyless.
Parameters not published.
search_materialsSearch 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 formation energy (eV/atom), energy above the convex hull (stability), band gap, space group, and prototype. Keyless. Provide at least `composition` or `element_set`.
Parameters not published.
stable_phasesList 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 made ONLY of the given elements with stability <= ~0 (on the convex hull). Keyless.
Parameters not published.
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