Abstract
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.
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Work supported by the US National Science Foundation, Grant No. DMR 1104798.
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Delgado-Friedrichs, O., Hyde, S.T., O’Keeffe, M. et al. Crystal structures as periodic graphs: the topological genome and graph databases. Struct Chem 28, 39–44 (2017). https://doi.org/10.1007/s11224-016-0853-3
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DOI: https://doi.org/10.1007/s11224-016-0853-3