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ICSD now contains 210,229 crystal structures

May 2019

ICSD web version 4.2.0 released

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ICSD now contains 203,830 crystal structures

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Analysis of spinel compounds in ICSD

ICSD enables scientists to search for text in titles in combination with chemical compound information, e.g., compound classes which cannot be described through specific compound information such as the molecular formula. An interesting example for such a compound class is provided by the spinel compounds.

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ICSD now contains 120,794 crystal structures

01. April 2009

The ICSD database now contains 120,794 crystal structures. This number includes 119,414 fully determined crystal structures for which the atom coordinates have been obtained from experimental data. With this update we have started to include 1,380 crystal structures for which the atom coordinates have been derived from the corresponding structure types. These records are part of the legacy crystal structure data on metallic and intermetallic compounds for which the incorporation has started in 2008. All these data are annotated to point out that the atomic coordinates are not experimentally obtained (e.g. atomic positions not refined). Please note that not all publication titles have been included yet. They will be added during the regular updates of the ICSD database. All of these data are extensively tested and carefully re-evaluated on consistency and quality. We have to express our gratitude to Professor Allmann who is significantly involved in this work.

The work on structure types has been extended again on the newly added and modified data. Thanks to the work by Professor Rudolf Allmann, about 90,000 ICSD entries are now classified according to about 4,860 distinct structure types. Further details on the introduction of structure types into the ICSD can be taken from the publication by Professor Rudolf Allmann and Dr. Roland Hinek in Acta Crystallographica A63, pages 412-417 (2007), which is freely available on the IUCr Website at