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: | , , , , , |
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Formato: | article |
Lenguaje: | EN |
Publicado: |
Nature Portfolio
2020
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Materias: | |
Acceso en línea: | https://doaj.org/article/f7939e475f4d47e6923216709369547d |
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