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Crystal structures as periodic graphs: the topological genome and graph databases

Delgado-Friedrichs, Olaf; Hyde, Stephen; O'Keeffe, Michael; Yaghi, Omar M


We call attention to methods of enumerating periodic structures and to the databases that contain them. These provide information essential to the systematic design of crystalline materials. The underlying topology is uniquely specified and identifiable from the Systre key which is thus the topological genome

CollectionsANU Research Publications
Date published: 2017
Type: Journal article
Source: Structural Chemistry
DOI: 10.1007/s11224-016-0853-3


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