Inorganic Crystal Structure Data (ICSD)

The ICSD contains an almost exhaustive list of known inorganic crystal structures published since 1913, including their atomic coordinates.


  • structural data of pure elements, minerals, metals, and intermetallic compounds
  • structural descriptors (Pearson symbol, ANX formula, Wyckoff sequences)
  • bibliographic data
  • synthesis conditions

All crystal structures contained in the database have been carefully evaluated and checked for quality by expert editorial team, extracting and abstracting original data from over 80 leading scientific journals and additional 1,900 scientific journals.

At present, the ICSD contains

  • 1400 crystal structures of the elements
  • 23,000 records for binary compounds
  • 42,500 records for ternary compounds
  • 45,000 records for quarternary and quintenary compounds
  • About 90,000 entries (70,3%) have been assigned a structure type.
  • There are currently 4,860 structure prototypes.