Symmetry prediction and knowledge discovery from X-ray diffraction patterns using an interpretable machine learning approach

Determination of crystal system and space group in the initial stages of crystal structure analysis forms a bottleneck in material science workflow that often requires manual tuning. Herein we propose a machine-learning (ML)-based approach for crystal system and space group classification based on p...

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Detalles Bibliográficos
Autores principales: Suzuki, Yuta, Hino, Hideitsu, Hawai, Takafumi, Saito, Kotaro, Kotsugi, Masato, Ono, Kanta
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7732852/
https://www.ncbi.nlm.nih.gov/pubmed/33311555
http://dx.doi.org/10.1038/s41598-020-77474-4

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7732852/
https://www.ncbi.nlm.nih.gov/pubmed/33311555
http://dx.doi.org/10.1038/s41598-020-77474-4

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