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Royal Society of Chemistry, CrystEngComm, 19(20), p. 2698-2704

DOI: 10.1039/c8ce00454d

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Predicting mechanical properties of crystalline materials through topological analysis

Journal article published in 2018 by M. J. Bryant ORCID, A. G. P. Maloney ORCID, R. A. Sykes ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

With the aim to develop simple, programmatically generated, topology-based descriptors of crystal structures for application to mechanical properties prediction methods, we have developed a new geometric analysis protocol using the CSD Python API.