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

Olaf Delgado-Friedrichs*, Stephen T. Hyde, Michael O’Keeffe, Omar M. Yaghi

*Corresponding author for this work

    Research output: Contribution to journalReview articlepeer-review

    23 Citations (Scopus)

    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.

    Original languageEnglish
    Pages (from-to)39-44
    Number of pages6
    JournalStructural Chemistry
    Volume28
    Issue number1
    DOIs
    Publication statusPublished - 1 Feb 2017

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