Automated identification of bulk structures, two-dimensional materials, and interfaces using symmetry-based clustering
Abstract With the rapidly increasing amount of materials data being generated in a variety of projects, efficient and accurate classification of atomistic structures is essential. A current barrier to effective database queries lies in the often ambiguous, inconsistent, or completely missing classif...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-02-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-024-01498-x |
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