ICSD

ICSD, the Inorganic Crystal Structure Database, is a comprehensive, curated repository of inorganic crystal structures. It collects experimental crystallographic data from peer‑reviewed literature and other reliable sources, and provides standardized records describing how atoms are arranged in solids. Each entry typically includes lattice parameters, the space group, fractional atomic coordinates, site occupancies, oxidation states, and bibliographic references, together with symmetry information and often downloadable 3D structural models.

Researchers use ICSD to search by chemical composition, structure type, lattice parameters, or space group, and to apply filters for data quality or refinement details. The database supports structure verification, phase identification, and data‑driven materials research, enabling comparisons with known structures and extraction of motifs and trends. It is commonly integrated with crystallographic software and workflows used in solid‑state chemistry, physics, and materials science.

ICSD content is derived from published crystal structure determinations and is subject to curation and periodic updates. While the database aims to reflect reported structures accurately, the quality and completeness of records depend on the underlying literature. It covers a broad range of inorganic compounds, including oxides, sulfides, phosphides, intermetallics, and complex salts.

Access to ICSD is typically licensed to institutions and researchers, and it is used in conjunction with other crystallographic data resources such as the Powder Diffraction File. The data are also provided to software packages for structure visualization, modeling, and property prediction, making ICSD a central resource in inorganic crystallography.

In summary, ICSD serves as a key reference database for researchers working with inorganic materials.