CrystalNets: topology identification of crystalline materials

Welcome to CrystalNets, the web interface to CrystalNets.jl for topology identification of crystalline materials, developed by Lionel Zoubritzky and Fran├žois-Xavier Coudert at CNRS / Chimie ParisTech.
If you use the software in published results (paper, conference, etc.), please cite the corresponding paper (SciPost Chem., 2022, 1, 005) and give the website URL.

CrystalNets.jl is open source software. Any queries or comments are welcome at or on Twitter @fxcoudert.

You can find here a video tutorial on how to use the web app.

Crystallographic file and options

Upload a CIF file, or any other crystallographic file format accepted by chemfiles, here:

Structure type: [?]
Bonding: [?]
Clusterings: [?]
Exports: [?] (check the tutorial for visualization)

See detailed help in the manual of CrystalNets.jl

About CrystalNets

CrystalNets is an online tool for the topological identification of crystalline materials.

CrystalNets is open source, and its source can be found on GitHub. We encourage you to browse it, use it, improve it and send us feedback!

Some common questions are answered in the manual. For more information, you can check the companion article (SciPost Chem., 2022, 1, 005)

Related resource

CrystalNets implements a variant of the algorithm of Systre. It is also inspired by ToposPro and its web interface TopCryst.

The names of known nets come from the RCSR, EPINET and the IZA-SC topology databases.

You may also be interested in MOFid, which uses the webGavrog implementation of Systre. For zeolites, there is the dedicated tool TOTOPOL.

The visualization widget of the result page is built with 3Dmol.js.