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Model for Vacancy formation energy for oxidesΒΆ

  • 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.
crystal_feature_model00.10.20.30.40.50.60.7
AI-SinglePropertyPrediction-ef-vacancydb_oxides_train_test-test-maeMAE (ef)


Reference(s): https://doi.org/10.48550/arXiv.2205.08366, https://pubs.acs.org/doi/abs/10.1021/jacs.1c05570

Model benchmarks

Model name Dataset MAE Team name Dataset size Date submitted Notes
crystal_feature_modelvacancydb_oxides_train_test0.7Crystal_Features3001-14-2023CSV, JSON, run.sh, Info