@pipeworx/crystallography

Connect: https://pipeworx.io/mcp — every tool in the catalog, including @pipeworx/crystallography’s. Install: one-click buttons

No MCP client? Skip the connection: POST https://gateway.pipeworx.io/v1/tools/search_packs {"query":"..."} to find a tool below, GET /v1/tools/<name> for its schema, POST the same URL with arguments for the data — see For AI agents.

Tools: 3

Tools

• search_structures — Search the Crystallography Open Database (COD), an open repository of crystal structures (inorganic, organic, metal-organic, and mineral). Search by compound name (free text), chemical formula, or min
• get_structure — Look up a single crystal structure in the Crystallography Open Database (COD) by its numeric COD ID (e.g. “1009000”). Returns the compound/mineral name, chemical formula, space group, full unit-cell p
• get_cif — Fetch the full CIF (Crystallographic Information File) for a COD structure by its numeric COD ID — the actual machine-readable structure: symmetry operations and the atom sites (element, fractional x/