Crystallography Open Database (PSDI Mirror)
The Crystallography Open Database (COD) is an open-access collection of crystal structures for organic, inorganic, metal-organic compounds and minerals, excluding biopolymers. It contains over half a million entries from a wide range of published and unpublished sources, including large databases, small collections, and individual contributors. All data are made available under a permissive open-access licence. This dataset was originally developed and is maintained by the Crystallography Open Database project at https://www.crystallography.net/cod/. PSDI provides a mirror of both the COD website and its corresponding OPTIMADE endpoint to offer a UK-based access point, improving availability, resilience and performance.
This resource is part of the Data Sources for PSDI Cross Data Search & OPTIMADE Providers' Datasets resource themes.
How to Access
- Crystallography Open Database (PSDI Mirror)
Web user interface to search Crystallography Open Database (COD) to find entries of interest by their contents e.g. by crystal cell parameters, SMILES, COD ID.
- Crystallography Open Database in PSDI Cross Data Search
Use PSDI Cross Data Search web user interface to search Crystallography Open Database (COD) alongside other PSDI data sources by commonly defined fields.
- OPTIMADE API for Crystallography Open Database (PSDI mirror)
Use this base_url when constructing OPTIMADE API queries for Crystallography Open Database (COD).
Further Information
Creators
Saulius Grazulis, Daniel Chateigner, Robert T. Downs, Alexandre F.T. Yokochi, Miguel Quiros, Loca Lutterotti, Elena Manakova, Justas Butkus, Peter Moeck & Armel Le Bail
Qualified Attribution
Linked Resources
Publisher
Access
Open Access
License
Contact
Citation
Please cite: Saulius Grazulis, Daniel Chateigner, Robert T. Downs, Alexandre F.T. Yokochi, Miguel Quiros, Loca Lutterotti, Elena Manakova, Justas Butkus, Peter Moeck and Armel Le Bail. Crystallography Open Database (PSDI Mirror). Online. 29 May 2026. Available from: https://resources.psdi.ac.uk/data/optimade-cod-cod. [accessed YYYY-MM-DD].

