Model for cubic system lattice constants¶
- Description: This is a benchmark to evaluate how accurately an ES model can predict the lattice constant for a set of cubic systems, experimental results are used as a ground truth for comparison and the mean absolute error (MAE) with respect to the experimental value is used as an accuracy metric
Reference(s): http://www.ioffe.ru/SVA/NSM/Semicond, https://doi.org/10.1103%2FPhysRev.25.753, https://doi.org/10.1063%2F1.3291117, https://7id.xray.aps.anl.gov/calculators/crystal_lattice_parameters.html, https://www.nature.com/articles/s41524-020-00440-1, http://www.springermaterials.com/docs/info/10201420_50.html
Model benchmarks
| Model name | Dataset | MAE | Team name | Dataset size | Date submitted | Notes |
|---|---|---|---|---|---|---|
| vasp_optb88vdw | dft_3d | 0.0491 | JARVIS | 64 | 01-14-2023 | CSV, JSON, run.sh, Info |