CDS News - Inorganic Crystal Structure Database   [updated 31 Mar 2014]

ICSD is a database of inorganic and related structures. It is produced cooperatively by FIZ Karlsruhe and the National Institute of Standards and Technology (NIST). The ICSD is searchable via three different web browser interfaces (CrystalWeb, CrystalWorks and ICSD-WWW)

The latest release of the ICSD is 2013/2
The total number of entries is now 166,842
Access to ICSD-WWW has now been withdrawn

See details below:

Item added 31/03/14

Access to ICSD-WWW has now been withdrawn

Access to ICSD-WWW on the CDS/DL wev#bsite has been withdrawn for users both within and outside the STFC network domain. STFC site licence for ICSD-WWW expired 31/03/14.

Access to the ICSD database continues within CrystalWorks. CrystalWorks is accesible from both the CDS/DL website and also the Royal Society of Chemistry site.

Item added 14/12/13

Update 2013/2 is now available via CrystalWorks

Item added 10/12/13

Update 2013/2 is available via ICSD-WWW

The latest ICSD update (2013/2) includes an additional 5,815 entries making a total of 166,842 ICSD crystal structures. 3 entries have been removed and 2,592 entries have been modified

CrystalWorks will be updated shortly to include this ICSD data update.

Please contact cdsbb@stfc.ac.uk if you encounter any problems with this latest ICSD update.

Item added 30/10/13

ICSD-WWW has been restored

ICSD-WWW is available again to registered CDS/DL users for access with the STFC network domain.

Note that all ICSD data is available for searching via the CrystalWorks system, and it is expected that ICSD-WWW will be removed permanently from the Daresbury server in the relatively near future.

We are aware that ICSD-WWW has functionality which many of you still find useful. We plan to further augment the capabilities of CrystalWorks. Please contact us via cdsbb@stfc.ac.uk if you have concerns about specific ICSD-WWW features which you believe could usefully be added to Crystalworks.

Item added 10/10/13

Access to ICSD-WWW is suspended

We are pleased to announce that CrystalWorks is now available to CDS/DL registered users outside the STFC network domain. CrystalWorks includes searching over the ICSD database, and it includes most of the functionality available via ICSD-WWW.

For technical reasons this means ICSD-WWW became available to the wider community. This raised a number of licencing issues. For this reason we are suspending access to ICSD within the STFC networks domain. Apologies for any inconvenience created by this change.

If you have any queries contact cdsbb@stfc.ac.uk

Item added 03/07/13

Links to CrystalWeb has been removed

The link to CrystalWeb from ICSD-WWW has been removed. This is required because of technical and licensing issues.

Item added 03/05/13

The Update 2013/1 is now available via CrystalWorks

Item added 01/05/13

Update 2013/1 is available

The latest ICSD update (2013/1) includes an additional 4,358 entries making a total of 161,030 ICSD crystal structures. CrystalWorks will be updated shortly to include this ICSD data update.

Please contact cdsbb@stfc.ac.uk if you encounter any problems with this latest ICSD update.

Item added 05/11/12

The Update 2012/2 is now available via CrystalWeb and CrystalWorks

Item added 30/10/12

Update 2012/2 is available

The latest ICSD update (2012/2) includes an additional 6,637 entries making a total of 156,679 ICSD crystal structures.

Item added 03/05/12

The Update 2012/1 is now available via CrystalWeb and CrystalWorks

Item added 01/05/12

Update 2012/1 is available

The latest ICSD update (2012/1) includes an additional 7,962 entries making a total of 150,042 ICSD crystal structures.

Item added 25/11/11

The Update 2011/2 is now available via CrystalWeb and CrystalWorks

Item added 17/11/11

Update 2011/2 is available

The latest ICSD update (2011/2) includes an additional 2,063 entries making a total of 142,179 ICSD crystal structures. The update is currently available via ICSD-WWW only. CrystalWeb and CrystalWorks will be updated shortly to include this ICSD data update.

Item added 28/06/11

The Update 2011/1 is now available via CrystalWeb and CrystalWorks

Item added 15/06/11

As indicated below the latest ICSD release is available via ICSD-WWW

Item added 10/06/11

The latest ICSD update (2011/1) will be made available via the ICSD-WWW interface on Wednesday 15th June at 3pm

There will be an additional 7,590 entries making a total of 140,116 ICSD crystal structures. CrystalWeb will be updated shortly after this to include the ICSD data.

Please notify us if this causes any problems.




Item added 26/03/09

Recent updates to the ICSD-WWW software have been implemented. This brings the CDS implementation fully in line with the ILL master server. For full details see the News page on the ILL master server.

There are various improvements. In particular a number of users of Internet Explorer may have previously experienced difficulties with the Jmol display where thermal ellipsoids were not accessible and various tick boxes were not displayed. These problems have now been fixed.

However, a number of "features" still remain. For instance you may need to deselect and reselect the bonding and polyhedral display tick boxes to make these options work correctly.

If you detect any other problems following the recent software update, please report these to us.




Item added 08/01/07

CrystalWeb structure display facilities are now available from within our implementation of ICSD for the Web. Thus it is possible to generate hits using ICSD-WWW search facilities and then create CrystalWeb displays. To allow this "Cweb" buttons has been added to the main ICSD-WWW hits window and the "Details" sub-window

Item added 03/01/07

The ICSD-WWW interface has been upgraded. A major difference is the availability of a new Jmol applet option which allows platform independent display of structures.

A new "Jmol" buttons have been added. This button is available directly from the ICSD-WWW Results Window. It is also available from the "ICSD Details" Window.

The "Structure" button has been retained. This allows you to continue using VRML display using xtal-3d. The PDB display option has been retained in the corresponding "Structure Display" menu. This now uses Jmol instead of Chime. However, it is our experience that display using the "Jmol" button is superior.

CrystalWeb users can access the ICSD-WWW Jmol display via the "Details from ICSD-WWW" button on displaying their Hits. Note that this option is currently only available for ICSD entries.

CrystalWeb has its own implemention using Jmol for structure display. The native CrystalWeb display is probably superior for molecular structures (both organic and inorganic).

The ICSD-WWW version is more powerful in otherways and has features curently not available for the CrystalWeb version. In particular there is an option for polyhedron display. It also possible to input your own stuctures in a range of formats.




Item added 23/06/06

A number of users have encountered problems with the CosmoPlayer VRML viewer. A VRML viewer is required to display structures within the ICSD-WWW interface in conjunction with xtal-3d. Users of CrystalWeb using the link to ICSD-WWW facilities will also have encountered potential problems.

As far as we are aware only those using the Internet Explorer browser have been affected. Other browsers continue to function correctly. The problem apparently relates to a recent Microsoft security update. Details are available from the NIST site

Other VRML viewers continue to work. We have found that Cortona for IE is satisfactory. A free download is available from the ParallelGraphics site.




Item added 26/11/02

The new ICSD update is now available via CrystalWeb. Note that the entries with no coordinate data which have been removed with the new update (see Item added 18/11/02) have been retained within our CrystalWeb collection. We believe that such entries (especially those for which have not been superseded by a full coordinate determination) do have some value. This is particularly the case for searches involving unit cell comparisions.

Item added 18/11/02

Update 2001-02 has been received and made available via the ICSD-WWW interface (thanks to Alan Hewat at the ILL for giving us priority access to this data). It contains 64734 entries, an decrease of 114 on Update 2001-02. There are 2352 new entries but 2466 entries have been removed. All entries which do not include coordinate data have been removed plus a number of repeat entries.

For up to date News Items related to ICSD-WWW go to the program itself.