The Samara Topological Data Center
Search topological objects
Upload CIF file and get the topological type of your crystal structure.
Drop CIF File with one structure here
Maximum file size - 2 MB
The upload limit of CIF files is no more than 10 structures per day for each user.
A video lesson of how to work with the TopCryst service is available
We use the full and actual version of the
collection to determine the topological type.
Automatic selection of structure representation
Standard representation of covalent and ionic compounds
Standard representation of coordination compounds and valence-bonded MOFs
Cluster All Node representation of valence-bonded compounds
Cluster Single Node representation of valence-bonded compounds
Standard representation of H-bonded molecular structures
Standard representation of the Coulomb or vdW-bonded molecular structures
Science and Technology of Advanced Materials: Methods, 2, 1, 250–265