Atomic descriptors generated from coordination polyhedra in crystal structures
We developed atomic descriptors from local crystal structures, which will facilitate researchers’ use of machine learning to predict the properties of inorganic materials via materials informatics. We applied singular value decomposition to the occurrence matrix of local coordination polyhedra in cr...
Main Authors: | Yuki Inada, Yukari Katsura, Masaya Kumagai, Kaoru Kimura |
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Format: | Article |
Language: | English |
Published: |
Taylor & Francis Group
2021-01-01
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Series: | Science and Technology of Advanced Materials: Methods |
Subjects: | |
Online Access: | http://dx.doi.org/10.1080/27660400.2021.1986359 |
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