Cambridge Structural Database

Cambridge Structural Database
Established in 1965, the CSD is the world’s repository for small-molecule organic and metal-organic crystal structures. Containing over 800,000 entries from x-ray and neutron diffraction analyses and more than 50,000 new structures added every year, this unique database of accurate 3D structures has become an essential crystallography resource to scientists around the world.

The UC Berkeley Libraries provides access to both the WebCSD (no downloads needed) and the complete CSDS client system (download here).