What data can I download from the CCDC?

The Cambridge Crystallographic Data Centre (CCDC) curates and maintains the Cambridge Structural Database (CSD)—the world’s definitive repository for small-molecule organic and metal-organic experimental crystal structures. The database includes structures determined by both X-ray and neutron diffraction methods.

Inclusion Criteria for the CSD

Structures are included in the CSD if they are based on:

• Single crystal studies, where unit cell parameters are reported, or

• Powder diffraction studies, where cell parameters, atomic coordinates, and a constrained refinement (e.g., Rietveld refinement) are provided.

In addition, the CSD includes:

• Peptides and saccharides of up to 24 residues

• Mono-, di-, and tri-nucleotide

  Thanks to a collaboration between the CCDC and FIZ Karlsruhe, users can also access inorganic crystal structure data stored in the Inorganic Crystal Structure Database (ICSD).

Inorganic Structures at the ICSD

As with CSD data, ICSD entries are available through the Access Structures service, where they can be searched, viewed, and downloaded free of charge.

If the data you require meets the criteria listed above then you may use our free Access Structures service to download the data you require. If the data does not meet the criteria listed above then you may be interested to read our solution “Where do I request data not included in the CSD?”

For more information on what is included in the CSD please see our solution "What are the criteria for deposition into the CCDC?"