Crystallography Open Database [Mirror, modified search interface and custom Jmol displays] Search and view

Educational COD offshoot Search and view Crystal Morphology Database Search and view



Wiki Crystallography Database Search and view

Nano-Crystallography Database Search and view

Several crystallography databases are offered for browsing. You can search the databases, download and display the contained Crystallographic Information Files  (CIFs), view 3D models of the encoded crystal structures and morphologies.

We also provide the North American mirror of the Crystallography Open Database (COD). This is the world's premier site for crystallographic open access data on small molecules and small to medium unit cell materials. There are more than a quarter of a million entries in this database and several mirrors active all over the world. At this particular site, this mirror is accessed under our standard search interface and has more (and backwards compatible) Jmol display options.

The Nano-Crystallography Database aims to collect data about nanocrystals. Crystallite size information (encoded in CIF ) is required for inclusion of data into this database. Everyone can upload data after registration.

The Crystal Morphology Database collects morphological information on both large and small crystals. Uploads by users are currently not possible. (The enabling CIF feature  is _exptl_crystal_face_perp_dist within a loop with _exptl_crystal_face_index_ . We do not use it exactly as intended by the creators of the Crystallographic Information Framework (also acronym CIF), but it works well for our interactive 3D morphology display purposes.)

The Wiki Crystallography Database is a collaborative community project. All interested people are invited to contribute to this database. Additions to the about 8,000 CIF entries can be simple comments  in the core CIF  format. For simplicity one could add a line of text and start it with a leading #, this would be equivalent to a comment for other people to read.

The Wiki Crystallography Database and its initial set-up with selected mineral data from the Crystallography Open Database recognizes the fact that there is a wealth of crystallographic / mineralogical knowledge distributed in non-digital form all over the world. As the computational infrastructure for such a project is very modest and a “common language” exists in the form of the Crystallographic Information File (CIF) of the International Union of Crystallography (IUCr) we – the people of the world with interests in crystals and minerals – laymen and scientists alike could together create a digital depository for mineral and crystal data.

Please do participate and enjoy the following little anecdote by Sir William Lawrence Bragg:


I said to the proprietor of a shop in Ballater, on Deeside, “That’s a fine group of smoky quartz in your window.” He replied “That’s no smoky quartz, that’s topaz. It’s a crystal. You can tell crystals by the angles between their faces. If you’re interested, I’ll lend you a book on the subject.” On return to base I looked up a book on mineralogy which said ”Smoky quartz, also known as Cairngorm, is called Topaz in Scotland.”
This is from A Random Walk in Science: The high standard of education in Scotland, published by IOP, as quoted in J. R. Helliwell, X-ray crystal structure analysis in Manchester: from W. L. Bragg to the present day, Z. Kristallogr. 217 (2002) 385-389.