Calculations of Cell similarity and Isostructurality indices by the software ISOS.

The software is free for academic users. For download, please contact us.

The indices are calculated as follows:

References when using ISOS:

  1. Petra Bombicz*, Nóra V. May, Dániel Fegyverneki, Avirmed Saranchimeg, Laura Bereczki*, Cryst. Eng. Comm.  DOI: 10.1039/d0ce00410c

  2. Kálmán A., Párkányi L. and Argay G., Acta Crystallogr. Sect. B, 1993, 49, 1039-1049. DOI:10.1107/S010876819300610X

Suggested reference:

Petra Bombicz: What is isostructurality? Questions on the definition, IUCrJ, 11/1, 3-6, 2024 DOI:10.1107/S2052252523010436