Inorganic Crystal Structure Database (ICSD)

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The Inorganic Crystal Structure Database (ICSD) is the world’s largest database for completely identified inorganic structures. 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.

At present, the ICSD contains more than 262,000 entries, including

• 2,522 crystal structures of the elements
• 36,659 records for binary compounds
• 70,881 records for ternary compounds
• 69,900 records for quaternary and quintenary compounds
• About 180,000 entries (80%) have been assigned a structure type. 
• There are currently about 9,000 structure types.

The ICSD data are critically reviewed with records dating to 1913. Only data that have passed thorough quality checks are included. For additional details regarding ICSD content, please view their Content web page, as well as their Scientific Manual.

Around 12,000 new structures are added each year, and the existing structures are regularly revised, corrected, and updated.

ICSD is an indispensable source of information for chemists, physicists, crystallographers, mineralogists and geologists teaching or doing research in the field of crystallography.

For crystal data for organic or organometallic substances, please consult the Cambridge Structural Database. 

Coverage dating from 1913 to the present.