Web Access to Inorganic Crystal Structure Database (ICSD Web)

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.