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

Abstract 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 b...

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Autores principales: Yuta Suzuki, Hideitsu Hino, Takafumi Hawai, Kotaro Saito, Masato Kotsugi, Kanta Ono
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2020
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Acceso en línea:https://doaj.org/article/f7939e475f4d47e6923216709369547d
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