Search Structures
search_structuresSearch 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 mineral name; returns matching crystal structures with unit-cell parameters, space group, year, and a link to the CIF structure file. Keyless. Provide at least one of query, formula, or mineral. Formulas are normalized to COD's stored Hill notation for you, so "NaCl", "SiO2" and "CaCO3" all work; the response reports formula_searched with the exact string that was matched.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| limit | No | Max structures to return (default 20, max 100). | |
| query | No | Free-text search (compound/common name, title words, author, etc.). e.g. "quartz", "aspirin". | |
| formula | No | Chemical formula in any common spelling — "NaCl", "SiO2", "CaCO3", "C6H6", or COD's own "O2 Si". It is converted to COD's stored Hill form (C first, then H, then the rest alphabetically; counts of 1 omitted) before searching. Matches the whole stoichiometry exactly, so "SiO2" will not match "CaMgSi2O6". | |
| mineral | No | Mineral name, e.g. "Quartz", "Calcite", "Halite". Matched against each structure's mineral field (case-insensitive substring), so "Quartz" also returns "Quartz low" / "Quartz high". |