Unsupervised machine learning to classify crystal structures according to their structural distortion: A case study on Li-argyrodite solid-state electrolytes
High-throughput approaches in computational materials discovery often yield a combinatorial explosion that makes the exhaustive rendering of complete structural and chemical spaces impractical. A common bottleneck when screening new compounds with archetypal crystal structures is the lack of fast an...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2022-08-01
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| Series: | Energy and AI |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2666546822000180 |