@pipeworx/crystallography

Connect: https://gateway.pipeworx.io/crystallography/mcp · Install: one-click buttons

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/

Tools

  • 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/
  • 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 pa
  • 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

Regenerated from source · build July 21, 2026