ICSD - the world's largest database for completely identified inorganic crystal structures

FIZ Karlsruhe provides the scientific and the industrial community with the world's largest database for completely identified inorganic crystal structures, ICSD. The ICSD data are of excellent quality and its first records date back to 1913. Only data which have passed thorough quality checks are included.

As the world’s leading provider of scientific information on inorganic crystal structures, we take full responsibility for database production, maintenance and quality control, and we ensure that the ICSD database and our software solutions meet the highest possible quality standards.

Around 12,000 new structures are added every year. Through our continuous quality assurance, existing content is modified, supplemented or duplicates removed. As a result, and by filling gaps from previous years, even the older content is not static.


  • All important crystal structure data are available, including unit cell, space group, complete atomic parameters, site occupation factors, Wyckoff sequence, molecular formula and weight, ANX formula, mineral group, etc.
  • 80 % of the structures are allocated to about 9,000 structure types. This allows for searches for substance classes.
  • Continuous selection and evaluation of theoretical structures. They can serve as a basis for developing new materials through data mining processes.
  • Keywords to describe to physical and chemical properties are provided.
  • Abstracts for a quick grasp of the article content are available.
  • Simulation of Powder Diffraction Data