Crystallography Open Database

Open-access collection of crystal structures of organic, inorganic, metal-organic compounds and minerals, excluding biopolymers.

Including data and software from CrystalEye, developed by Nick Day at the department of Chemistry, the University of Cambridge under supervision of Peter Murray-Rust.

All data on this site have been placed in the public domain by the contributors.

News

2024-10-23 With Search/Match2, phase analysis is brought to a new level. You can directly import the measured STOE raw files into the program and have a one-click solution for an entire phase analysis using the ICDD database, the public COD database or enhance those databases with your own phases. Moreover, it is possible to employ your own experience and additional knowledge about the phases by manually advancing through the process. In the single steps you can change parameters, options and algorithms according to your understanding of the measured material. In Search/Match2 you can load any STOE raw file, including single or multi range files as well as series from repetition or non-ambient measurements and the 2D or 3D data can be visualized with a powerful new graphics chart. Additionally, corrections for background, absorption, detector dead time, etc. can be applied through the program. Peaks used for the phase analysis are obtained either automatically or manually and their position can optionally be refined. The powerful Bayesian algorithm searches the entire databases with over a million entries in fractions of seconds and ranks all possible phases by probability. To check the plausibility of the outcome, you can perform a full pattern fitting directly after selecting all matching results. With projects, measurement files and databases saved in an SQL database, you can access them even from other PCs within the network or share them as a file with other users of Search/Match2. Read more

Currently there are 518952 entries in the COD.
Latest deposited structure: 1572976 on 2024-10-30 at 02:36:48 UTC

Crystallography Open Database

CIFs Donators


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Advisory Board

  • Daniel Chateigner,
  • Xiaolong Chen,
  • Marco Ciriotti,
  • Robert T. Downs,
  • Saulius Gražulis,
  • Werner Kaminsky,
  • Armel Le Bail,
  • Luca Lutterotti,
  • Yoshitaka Matsushita,
  • Andrius Merkys,
  • Peter Moeck,
  • Peter Murray-Rust,
  • Miguel Quirós Olozábal,
  • Thomas Sander,
  • Antanas Vaitkus,
  • Alexandre F.T. Yokochi

If you find bugs in the COD or have any feedback, please contact us at
COD bug report e-mail