PSDI Subscribed Resources

The Cambridge Structural Database (CSD), maintained by the Cambridge Crystallographic Data Centre (CCDC), is the world's largest curated collection of experimentally determined crystal structures, containing more than 1.3 million accurate 3D structures derived from X ray, neutron, and electron diffraction analyses. It is widely used across research and industry including pharmaceuticals, agrochemicals, and fine chemicals, to support structure prediction, materials design, and data driven discovery. Within PSDI, access to the CSD is available to authenticated users from the UK academic community. Users can search the CSD through the Find a Substance option in the PSDI Cross Data Search service or via the dedicated webCSD interface. CSD software tools are also available through PSDI's Remote Desktop Access. Use the Visit or resource landing page link to search the CSD via PSDI Cross Data Search, and see Linked Resources for links to webCSD and CSD software. Find out more using the links in the Further Information section.

The Cambridge Structural Database (CSD), maintained by the Cambridge Crystallographic Data Centre (CCDC), is the world's largest curated collection of experimentally determined crystal structures, containing more than 1.3 million 3D structures derived from X ray, neutron, and electron diffraction studies. It is widely used across research and industry to support structure prediction, materials design, and data driven discovery. Through PSDI, authenticated users from the UK academic community can access a Remote Desktop environment that provides CCDC software for searching, visualising, and analysing CSD data. The available tools include ConQuest for searching and retrieving CSD entries; Mercury for 3D structure visualisation and analysis, and Mogul for exploring preferred molecular geometries within the CSD; and the now deprecated PreQuest. Use the Visit or resource landing page link for guidance on requesting or obtaining help with access to the CSD Software (Remote Desktop Access) service. See Linked Resources for access to the CSD via the PSDI Cross Data Search service.

The Cambridge Structural Database (CSD), maintained by the Cambridge Crystallographic Data Centre (CCDC), is the world's largest curated collection of experimentally determined crystal structures, containing more than 1.3 million 3D structures derived from X ray, neutron, and electron diffraction studies. It is widely used across research and industry to support structure prediction, materials design, and data driven discovery. Through PSDI, authenticated users from the UK academic community can search the CSD using the dedicated webCSD service interface. Use the Visit or resource landing page link to search the CSD using the dedicated webCSD service. Use the Visit or resource landing page link for guidance on requesting or obtaining help with access to the webCSD service. See Linked Resources for access to the CSD via the PSDI Cross Data Search.

The Inorganic Crystal Structure Database (ICSD), maintained by FIZ Karlsruhe, is the world's largest collection of fully identified inorganic crystal structures, containing more than 325,000 entries. It includes experimentally determined inorganic and organometallic structures as well as theoretically calculated inorganic structures, and also provides simulated powder diffraction data. Each record contains rich structural information, including unit cell parameters, space group, full atomic coordinates, site occupation factors, Wyckoff positions, molecular and ANX formulas, molecular weight, and mineral group. Access to ICSD through PSDI is available to authenticated users within the UK academic community. The search interface provides a set of tools designed to support efficient discovery and analysis of crystal structure data. Its capabilities include an intuitive search environment, extensive structure type classifications that can be queried using descriptive parameters, and structure standardisation features that make comparison across entries straightforward. Users can explore structures through advanced visualisation and analysis tools, generate and manipulate simulated powder diffraction patterns, and manage queries through a simple but flexible interface. Direct links to the original literature are also provided via an OpenURL server.