Zeolite LTA structure generation by Coordination Sequence and Vertex Symbol

Abstract A graph theory based computational program CVdecoder is proposed that enable us to construct a zeolite LTA structure topology from Coordination Sequence and Vertex Symbol information. During the generation process, a critical size of cluster (graph) denoting as “Minimal Fingerprint Structure (MFS)” is found. The generation process after the MFS formation is no longer requiring more topological information but vertex transitive. The cluster is also smallest characteristic cluster that could only be found in LTA, that may provide a useful view of zeolite polymorph selective nucleation.

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