Uploading CIF Files

Larixite allows you to upload CIF files. These must be plain text files, smaller than 4 Mb, and have a file name that ends with ".cif".

Larixite tries to be able to use any CIF file, but CIF is a complicated description of crystallographic information, and some CIF files from external sources may not be usable by Larixite. If you run into trouble, let us know, at larixite Github page or by emailing the developers.

Credits

Larixite was written by Matthew Newville, The University of Chicago and Mauro Rovezzi, University Grenoble Alpes and CNRS, using code from Margaret Koker, Lawrence University, Ryuichi Shimogawa, Stony Brook University, Beatriz G. Foschiani, University Grenoble Alpes, Jade Chongsathapornpong, CNRS, and Marius Retegan, European Synchrotron Radiation Facility.

The database of structures comes from data from American Mineralogist Crystal Structure Database that have been compiled into an SQLite3 database.

The code used here was originally part of xraylarch, but has now been migrated to its own project at larixite which can be used programmatically from Python.

The code to work with crystal structures and CIF files uses PyMatGen from the The Materials Project