Skip to content

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): https://www.nature.com/articles/s41524-020-00440-1, https://doi.org/10.1063%2F1.3291117, https://7id.xray.aps.anl.gov/calculators/crystal_lattice_parameters.html, http://www.ioffe.ru/SVA/NSM/Semicond, https://doi.org/10.1103%2FPhysRev.25.753, http://www.springermaterials.com/docs/info/10201420_50.html

Model benchmarks

Model name Dataset MAE Team name Dataset size Date submitted Notes
vasp_optb88vdwdft_3d0.0491JARVIS6401-14-2023CSV, JSON, run.sh, Info