Citing COD

COD is an academic project, and its development has been published in a number of peer-reviewed papers. If you use COD, its search facilities, servers or data collections in your own research, please cite the following papers:

  • Quirós, M., Gražulis, S., Girdzijauskaitė, S., Merkys, A. & Vaitkus, A. (2018) "Using SMILES strings for the description of chemical connectivity in the Crystallography Open Database". Journal of Cheminformatics 10:23. (BibTeX, plain text)

  • Merkys, A., Vaitkus, A., Butkus, J., Okulič-Kazarinas, M., Kairys, V. & Gražulis, S. (2016) "COD::CIF::Parser: an error-correcting CIF parser for the Perl language". Journal of Applied Crystallography 49. (BibTeX, EndNote/Refer, plain text)

  • Gražulis, S., Merkys, A., Vaitkus, A. & Okulič-Kazarinas, M. (2015) "Computing stoichiometric molecular composition from crystal structures". Journal of Applied Crystallography 48, 85-91. (BibTeX, EndNote/Refer, plain text)

  • Gražulis, S., Daškevič, A., Merkys, A., Chateigner, D., Lutterotti, L., Quirós, M., Serebryanaya, N. R., Moeck, P., Downs, R. T. & LeBail, A. (2012) "Crystallography Open Database (COD): an open-access collection of crystal structures and platform for world-wide collaboration". Nucleic Acids Research 40, D420-D427. (BibTeX, EndNote/Refer, plain text)

  • Grazulis, S., Chateigner, D., Downs, R. T., Yokochi, A. T., Quiros, M., Lutterotti, L., Manakova, E., Butkus, J., Moeck, P. & Le Bail, A. (2009) "Crystallography Open Database – an open-access collection of crystal structures". J. Appl. Cryst. 42, 726-729. (BibTeX, EndNote/Refer, plain text)

  • Downs, R. T. & Hall-Wallace, M. (2003) "The American Mineralogist Crystal Structure Database". American Mineralogist 88, 247-250. (BibTeX, EndNote/Refer, plain text)

There is also a sister database, PCOD (Predicted COD), that hosts a large number of predicted crystal structures. If you use data from it, please cite the publication for the GRINSP program that was used to create the most of PCOD entries:

  • Le Bail, A. (2005) "Inorganic structure prediction with GRINSP". Journal of Applied Crystallography 38, 389-395 (BibTeX, EndNote/Refer, plain text)