Proposed definition of crystal substructure and substructural similarity
There is a clear need for a practical and mathematically rigorous description of local structure in inorganic compounds so that structures and chemistries can be easily compared across large data sets. Here a method for decomposing crystal structures into substructures is given, and a similarity fun...
Main Authors: | Yang, Lusann (Contributor), Ceder, Gerbrand (Contributor), Dacek, Stephen Thomas (Contributor) |
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Other Authors: | Massachusetts Institute of Technology. Department of Materials Science and Engineering (Contributor) |
Format: | Article |
Language: | English |
Published: |
American Physical Society,
2014-08-11T17:53:13Z.
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Subjects: | |
Online Access: | Get fulltext |
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