Crystal Structure Databases

The CDS provides databases containing crystal structure data on organic, organo-metallic and inorganic compounds as well as metals and alloys. They provide information on crystal structures that have lready been determined, and are a valuable source of model compounds for download.

These can provide a basis for modelling studies on new materials. In some cases you can conduct substructure and geometry searches and you can explore non-bonded interactions and measure bond angles and bond lengths. Graphics tools help you visualise the structure in 3D - as a component molecules or as full crystal packing units.

Major Components available

Main modes of Access to the data