Table 1 Accuracy in identifying the correct (most similar) crystal class in the presence of defects
From: Insightful classification of crystal structures using deep learning
Random displacements (σ) | Vacancies (η) | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
0.001 Å | 0.002 Å | 0.005 Å | 0.01 Å | 0.02 Å | 0.06 Å | 1% | 2% | 15% | 25% | |
Spglib (tight) | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 |
Spglib (medium) | 73.70 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 |
Spglib (loose) | 99.99 | 99.99 | 99.99 | 75.22 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 |
This work | 100.00 | 100.00 | 100.00 | 100.00 | 100.00 | 100.00 | 100.00 | 100.00 | 100.00 | 100.00 |