CSDsICSDs

CSDs and ICSDs refer to two major crystallographic databases that store three-dimensional structural data for molecules and materials. The Cambridge Structural Database (CSD) and the Inorganic Crystal Structure Database (ICSD) are widely used resources in chemistry, materials science, and related fields, each focusing on different classes of compounds.

The Cambridge Structural Database (CSD) is maintained by the Cambridge Crystallographic Data Centre (CCDC). It primarily collects data for small molecules, including organic, organometallic, and some inorganic compounds. Each entry typically includes three-dimensional coordinates, crystallographic parameters, and metadata such as chemical identity, synthesis details, publication information, and refinement statistics. Data are deposited as crystallographic information files (CIFs) and are searchable by chemical structure, formula, space group, unit cell parameters, and textual metadata. The CSD supports structure visualization and analysis through software tools popular in academia and industry.

The Inorganic Crystal Structure Database (ICSD) concentrates on inorganic crystals, including minerals and inorganic compounds with metal centers. Maintained through collaboration with European and other partners, the ICSD aggregates CIFs and associated metadata required for inorganic crystallography, such as oxidation states, coordination environments, and symmetry information. It enables searches by chemical composition, element pairings, mineral name, space group, and publication data, facilitating inorganic materials research and mineralogical studies.

Both databases emphasize data quality and provenance, offering validation, deposition records, and links to primary literature. Access is typically subscription-based through institutions, with some limited free resources or trial options. Interoperability with standard formats and crystallography software supports cross-database comparisons and integrated materials research, though coverage, scope, and licensing differ between CSD and ICSD.