Inorganic Crystal Structure Database

16 Oct 2019 Changes on login feature (Y.Raoul)
15 Jun 2019 JSMol version, HTML5/javascript (Y.Raoul)
20 Feb 2019 ICSD database update to the 2018 version (A.Filhol)

1) We have cleaned up old user files, which were preventing some options from running eg jmol display.
2) JSMol requires javascript.

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 3% structure subset of the 203,830 inorganic structures in release 2018-2. 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.

Login or use the Demo
(ICSD-for-WWW works with Windows up to Mac-OSX & Linux, but not with old browsers).
Do not disable popups, cookies or javascript; Some help on this topic is available here for MacOS, and here for Windows OS.
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. With Internet Explorer, please include ICSD as a "trusted site" under "security".

  • 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 JSMol (recommended) or VRML.
  • Pretty pictures of typical structures produced by ICSD-for-WWW
  • 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 © 2018 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).