search_structures
ActiveTool of Crystallography
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 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.
Parameters schema
{
"type": "object",
"properties": {
"limit": {
"type": "number",
"description": "Max structures to return (default 20, max 100)."
},
"query": {
"type": "string",
"description": "Free-text search (compound/common name, title words, author, etc.). e.g. \"quartz\"."
},
"formula": {
"type": "string",
"description": "Chemical formula, e.g. \"As Ga O4\" (elements space-separated)."
},
"mineral": {
"type": "string",
"description": "Mineral name, e.g. \"Calcite\". Note: the COD mineral field is sparsely populated, so this often returns no results."
}
}
}No endpoints wrapped at confidence ≥ 0.50.
Parent server
Crystallography
https://github.com/pipeworx-io/mcp-crystallography
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