Theoretical Crystallography Open Database

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

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

Currently there are 2906 entries in the TCOD.
Latest deposited structure: 30000098 on 2020-07-21 at 15:03:13 UTC

Theoretical Crystallography Open Database

Advisory Board

  • Daniel Chateigner,
  • Xiaolong Chen,
  • Marco Ciriotti,
  • Robert T. Downs,
  • Saulius Gra┼żulis,
  • Werner Kaminsky,
  • Armel Le Bail,
  • Luca Lutterotti,
  • Yoshitaka Matsushita,
  • Peter Moeck,
  • Peter Murray-Rust,
  • Miguel Quirós Olozábal,
  • Hareesh Rajan,
  • Alexandre F.T. Yokochi

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