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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...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2020
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| Materias: | |
| 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 |