search_structures
Pack: crystallography · Endpoint: https://gateway.pipeworx.io/crystallography/mcp
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
| Name | Type | Required | Description |
|---|---|---|---|
query | string | no | Free-text search (compound/common name, title words, author, etc.). e.g. “quartz”. |
formula | string | no | Chemical formula, e.g. “As Ga O4” (elements space-separated). |
mineral | string | no | Mineral name, e.g. “Calcite”. Note: the COD mineral field is sparsely populated, so this often returns no results. |
limit | number | no | Max structures to return (default 20, max 100). |
Example call
curl -X POST https://gateway.pipeworx.io/crystallography/mcp \
-H 'Content-Type: application/json' \
-d '{"jsonrpc":"2.0","id":1,"method":"tools/call","params":{"name":"search_structures","arguments":{}}}'Connect
Add this to your MCP client config, or use one-click install buttons:
{
"mcpServers": {
"crystallography": {
"url": "https://gateway.pipeworx.io/crystallography/mcp"
}
}
}See Getting Started for client-specific install steps.