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Description of the crystal structure topology 


Determining the underlying topology of your crystal structure free
Upload CIF file and get the topological type of your crystal structure.

If your structure is really interesting in the topological sense, a collaborative research is possible. If the analysis is routine, we can make it for you within a contract. The following standard services are available:

Determining the underlying net(s) topology with pictures ($30/structure)
Resting upon *.cif/*.res file with the crystallographic data on your crystal structure, we provide you with the name of topological type of its underlying net (that is the net of structural units). You also get a list of the structural units that compose the underlying net. If your structure admits several representations we give you the information for all underlying nets corresponding to the representations. In addition to the information we illustrate the underlying nets with high-quality figures suitable for publication.

Determining the underlying net(s) topology with pictures and description ($50/structure)
In addition to the information provided in the previous service, we give a detailed description of topological features of each representation.

Determining the underlying net(s) topology with pictures, description and list of analogs ($70/structure)
In addition to the information provided in the previous service, we supply you with the list of structures (or the total number of structure if it exceeds 20) that are topologically similar to your crystal structure.

We can perform a statistical analysis of topological properties of large sets of crystal structures to reveal general trends and/or regularities for the class of compounds under your interest. We can apply the topological methods to solve specific tasks of crystal chemistry and design.



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