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MCP server · Data

Crystallography

by · github.com/pipeworx-io/mcp-crystallography

Crystallography Open Database (COD) MCP.

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Scored 4 months ago · breakdown

About Crystallography

Crystallography is an MCP server published by pipeworx-io in the Data category: crystallography Open Database (COD) MCP.

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Install

From source
git clone https://github.com/pipeworx-io/mcp-crystallography

This server has no ConduID identity, so agent calls to it are not receipted. Pin the version you install and review the source before granting it credentials.

Tools (3)

get_cifFetch 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/y/z coordinates, occupancy). Use after search_structures/get_structure when you need the real atomic structure, not just the metadata/link. Returns the CIF text plus a parsed summary (formula, space group, cell, atom count). Keyless.

Parameters not published.

get_structureLook 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 parameters (a, b, c, alpha, beta, gamma, volume), bibliographic details (title, authors, journal, year, DOI), and a link to the CIF structure file. Keyless.

Parameters not published.

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.

Parameters not published.

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Questions

About Crystallography

How do I install Crystallography?

No package has been published for this server, so install it from source: clone the repository and follow its README.

Is Crystallography safe to use with an AI agent?

Its trust score is 34 out of 100 (low). Conduid hasn't run static security checks on this repository yet, so review the source yourself before granting it credentials. It has no ConduID identity yet, so agent calls to it are not receipted.

Is Crystallography still maintained?

Yes — the last commit was 8 hours ago. The repository has 0 stars and 0 forks.