Inorganic Crystal Structure Database

03 Aug 2015
20 Feb 2019 ICSD database update to the 2018 version (A.Filhol)
20 May 2019 soon, JSMol version (Y.Raoul)

1) We have cleaned up old user files, which were preventing some options from running eg jmol display.
2) Jmol requires Java, which is no longer available in Chrome. Use Firefox instead.
3) Even in Firefox, Java Security must be configured to include the ICSD server http://icsd.ill.eu/

This is the ILL's PHP-MySQL Inorganic Crystal Structure Database (ICSD-for-WWW). Unlicensed users only have access to a demonstration version, with a 3592 structure subset of the 140,116 inorganic structures in release 2011-1. To get started, just enter eg Y Ba2 Cu3 O in the elements box and click Search. (Click on the titles of the input boxes for help). If you are unfamiliar with ICSD-for-WWW, you may want to first look at some Pretty pictures of typical structures and a WWW Flash movie of all the things you can do (in an earlier version of ICSD).

Login or use the Demo
(ICSD-for-WWW works with Win95 up to Mac-OSX & Linux, but not with old browsers).
Do not disable popups, cookies or javascript; a popup window is needed to login to the full database.
In the browser options, prefer to open new pages in a new window, not a new tab.

If you have problems, use a modern browser like Mozilla Firefox which is an excellent Netscape-like browser for most platforms (and only a 4.7 Mbyte download). With Internet Explorer, please include ICSD as a "trusted site" under "security". With Firefox, Java Security must be configured to include the ICSD server http://icsd.ill.eu/

  • News and bug fixes.
  • Conditions of use and prices.
  • Using Adobe Reader or Ghostscript to view the powder patterns on-screen.
  • Displaying the 3D structures using CIF and Jmol (recommended) or VRML.
  • Pretty pictures of typical structures produced by ICSD-for-WWW
  • Flash movie of all the things you can do with ICSD-for-WWW (CCLRC Daresbury UK server).
  • Install your own ICSD server for Windows, linux or other systems.

    The ICSD-for-WWW interface was introduced by the Institut Laue-Langevin (ILL), in Grenoble France.

    Copying or publishing either the ICSD data or software without written permission is illegal.
    The ICSD database is copyright © 2015 by Fachinformationszentrum (FIZ) Karlsruhe
    The PHP-mySQL WWW interface is copyright © 2003-2015 by Peter Hewat
    The 3D crystal structure visualisation software, xtal-3d is copyright © 1994-2015 by Marcus Hewat
    The PHP-JMOL drawing software is copyright © 2006-2015 by Alan Hewat
    Please report technical problems with ICSD for WWW to alan.hewat[a]neutronoptics.com (Alan Hewat).