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provided by FIZ Karlsruhe

ICSD News

June 2018

ICSD now contains 199,466 crystal structures

June 2018

ICSD web version 4.0.0 released

January 2018

ICSD and Material Research

Featured article

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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Facts and Figures

History of ICSD
ICSD goes back to an initiative of Prof. Günter Bergerhoff in late 70ies at the Institute for Inorganic Chemistry of the University of Bonn, Germany. FIZ Karlsruhe started to maintain the database in collaboration with the University of Bonn in 1985. In 1989 a joint venture between the Gmelin Institute, Germany, and FIZ Karlsruhe took over the responsibility for ICSD. From 1997 to 2017 ICSD was produced cooperatively by FIZ Karlsruhe, Germany, and the National Institute of Standards and Technology (NIST), U.S.A. Since 2017 ICSD is solely produced by FIZ Karlsruhe.

A first WWW interface was developed by Alan Hewat at the Institute Laue-Langevin, Grenoble, but was replaced in 2009 by a new interface developed by FIZ Karlsruhe. Since 2015 FIZ Karlsruhe provides the interface ICSD Desktop, which is basically identical to the ICSD Web interface.

Content
The Inorganic Crystal Structure Database (ICSD) contains information on structures

  • that have no C-C and no C-H bonds,
  • whose atomic coordinates have been fully determined or were derived from a corresponding structure type.

Since 2003, crystal structures of metallic and inter-metallic compounds have been included into ICSD.

In 2017 the inclusion of theoretically calculated structures started. For theoretical structures the focus lies on structures that were either not measured, or not fully determined yet. All theoretical structures in ICSD are taken from peer-reviewed journals.

Figures

Current Release:

2018.1

Entries:

199,466

Theoretical structures:

11,008

Derived Coordinates:

27,036

Fully determined:

161,422

New entries:

5,947

Modified entries:

5,450

Removed entries:

359

Structure Types:

9,013

Assigned to Structure Type:

157,483

Elements:

2,744

Binaries:

37,818

Ternaries:

72,284

Quarternaries:

47,803

Quintenaries:

23,192

Metals/Alloys:

36,434

Minerals:

25,051

Largest Structure:

65,372.53 Å3

Smallest Structure:

10.51 Å3

Authors:

81,547

Articles:

85,543

Journals:

1,676