Model for Vacancy formation energy for oxides¶
- Description: This is a benchmark to evaluate how accurately an AI model can predict vacancy formation energy for a subset of oxide materials. Here we use mean absolute error (MAE) to compare models with respect to DFT accuracy.
Reference(s): https://pubs.acs.org/doi/abs/10.1021/jacs.1c05570, https://doi.org/10.48550/arXiv.2205.08366
Model benchmarks
Model name | Dataset | MAE | Team name | Dataset size | Date submitted | Notes |
---|---|---|---|---|---|---|
crystal_feature_model | vacancydb_oxides_train_test | 0.7 | Crystal_Features | 30 | 01-14-2023 | CSV, JSON, run.sh, Info |