Inorganic Crystal Structure Database

30 Nov 2016

This is the new PHP-MySQL Inorganic Crystal Structure Database (ICSD-for-WWW) installed at the CSIC. For additional information, please, contact Dr. Lourdes Infantes or Dr. Martin Martinez-Ripoll at the Department of Crystallography and Structural Biology. Unlicensed users only have access to a demonstration version, with a small subset of the 187,093 inorganic structures in release 2016-2. To get started, just enter e.g. 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.

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. With Internet Explorer, please include ICSD as a "trusted site" under "security".

  • News and bug fixes.
  • Conditions of use and prices.
  • Using Adobe Reader 6.0 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.

    ICSD is copyright by Fachinformationszentrum Karlsruhe (FIZ) in Germany, and the National Institute of Standards and Technology (NIST) in the USA. The WWW interface was introduced by the Institut Laue-Langevin (ILL), in Grenoble France. The PHP-mySQL WWW interface is copyright (2003-2012) by Peter Hewat, while the 3D crystal structure visualisation software, xtal-3d is copyright (1994-2012) by Marcus Hewat. Copying or publishing either the ICSD data or software without written permission from the copyright owner is illegal under EU and US law. Please read the conditions of use and contact Stephan Rühl at FIZ Karlsruhe for a full user license.

    The ICSD database is copyright 2012 by Fachinformationszentrum (FIZ) Karlsruhe © 2012 FIZ Karlsruhe
    Please report technical problems with ICSD-for-WWW to our Helpdesk.