Index
Electronic structure model contributionss
- Number of contributions: 741
Category | Sub-category | Benchmark | Method | Metric | Score | Team | Dataset | Size |
---|---|---|---|---|---|---|---|---|
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_1002_Si | gpaw_gllbsc | MAE | 0.0048 | GPAW | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_1002_Si | vasp_scan | MAE | 0.669 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_30_GaN | gpaw_gllbsc | MAE | 0.3384 | GPAW | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_7844_AlN | vasp_tbmbj | MAE | 0.099 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_8158_SiC | vasp_tbmbj | MAE | 0.112 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_8003_CdS | vasp_tbmbj | MAE | 0.02 | JARVIS | dft_3d | 1 |
ES | Spectra | dft_3d_dielectric_function_JVASP_1174_GaAs | vasp_tbmbj | MULTIMAE | 2.671966303851517 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_1189_InSb | gpaw_lda | MAE | 0.0238 | GPAW | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_91_C | gpaw_gllbsc | MAE | 0.2281 | GPAW | dft_3d | 1 |
ES | Spectra | dft_3d_dielectric_function_JVASP_1002_Si | vasp_tbmbj | MULTIMAE | 3.3922169684774715 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_890_Ge | qe_pbe_ccECP | MAE | 0.0495 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_1315_BaS | vasp_tbmbj | MAE | 0.601 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_113_ZrO2 | gpaw_gllbsc | MAE | 1.2866 | GPAW | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_1954_AgCl | vasp_tbmbj | MAE | 0.372 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap | vasp_tbmbj | MAE | 0.4981 | JARVIS | dft_3d | 54 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_8583_AgBr | vasp_tbmbj | MAE | 0.194 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_1201_CuCl | gpaw_gllbsc | MAE | 0.708 | GPAW | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_8169_GaN | gpaw_gllbsc | MAE | 0.1977 | GPAW | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_slme_JVASP_266_InP | vasp_tbmbj | MAE | 9.14 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_1198_ZnTe | vasp_tbmbj | MAE | 0.157 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_1408_AlSb | vasp_tbmbj | MAE | 0.087 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_1183_InP | vasp_tbmbj | MAE | 0.033 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_23_CdTe | vasp_tbmbj | MAE | 0.03 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_1130_LiF | gpaw_gllbsc | MAE | 0.7701 | GPAW | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_slme | vasp_tbmbj | MAE | 5.0925 | JARVIS | dft_3d | 5 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_1216_Cu2O | gpaw_gllbsc | MAE | 0.9561 | GPAW | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_1405_CaO | gpaw_gllbsc | MAE | 0.4381 | GPAW | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_1180_InN | vasp_tbmbj | MAE | 0.038 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_7860_SnTe | tb3_models | MAE | 0.039 | TB3 | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_75_WSe2 | gpaw_pbe | MAE | 0.0103 | GPAW | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_1312_BP | vasp_tbmbj | MAE | 0.186 | JARVIS | dft_3d | 1 |
ES | Spectra | dft_3d_dielectric_function | vasp_tbmbj | MULTIMAE | 2.8799621766740207 | JARVIS | dft_3d | 4 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_5_TiO2 | tb3_models | MAE | 0.2013 | TB3 | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_slme_JVASP_1174_GaAs | vasp_tbmbj | MAE | 3.94 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_17_BN | vasp_tbmbj | MAE | 0.085 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_1174_GaAs | vasp_tbmbj | MAE | 0.199 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_1267_BaTe | gpaw_gllbsc | MAE | 0.2532 | GPAW | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_96_ZnSe | vasp_tbmbj | MAE | 0.19 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_32_Al2O3 | gpaw_gllbsc | MAE | 0.488 | GPAW | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_72_WS2 | tb3_models | MAE | 0.0674 | TB3 | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_104_TiO2 | tb3_models | MAE | 0.3108 | TB3 | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_95_CdS | vasp_tbmbj | MAE | 0.101 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_116_MgO | gpaw_gllbsc | MAE | 0.6653 | GPAW | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_1294_BaSe | gpaw_gllbsc | MAE | 0.5666 | GPAW | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_1453_AlCuO2 | gpaw_gllbsc | MAE | 0.2589 | GPAW | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_1702_ZnS | gpaw_gllbsc | MAE | 0.0562 | GPAW | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_slme_JVASP_7112_H6PbCI3N | vasp_tbmbj | MAE | 0.52 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_slme_JVASP_7757_CdTe | vasp_tbmbj | MAE | 6.77 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_1145_KCl | vasp_tbmbj | MAE | 0.091 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_57_MoSe2 | gpaw_pbe | MAE | 0.034 | GPAW | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_1393_GaP | vasp_tbmbj | MAE | 0.023 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_7678_MgSe | vasp_optb88vdw | MAE | 0.353 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_1300_MgS | vasp_tbmbj | MAE | 0.504 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_9147_HfO2 | vasp_tbmbj | MAE | 0.036 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_7762_MgTe | vasp_tbmbj | MAE | 0.106 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_1327_AlP | vasp_tbmbj | MAE | 0.063 | JARVIS | dft_3d | 1 |
ES | Spectra | dft_3d_dielectric_function_JVASP_266_InP | vasp_tbmbj | MULTIMAE | 2.530859484979737 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_39_AlN | gpaw_gllbsc | MAE | 0.0119 | GPAW | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_54_MoS2 | vasp_tbmbj | MAE | 0.047 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_8566_AgI | vasp_tbmbj | MAE | 0.821 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_299_SnSe | vasp_optb88vdw | MAE | 0.192 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_slme_JVASP_8554_InCuSe2 | vasp_tbmbj | MAE | 8.35 | JARVIS | dft_3d | 1 |
ES | Spectra | dft_3d_dielectric_function_JVASP_890_Ge | vasp_tbmbj | MULTIMAE | 2.924805949387357 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_8082_SrTiO3 | tb3_models | MAE | 0.6271 | TB3 | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_97_InAs | vasp_tbmbj | MAE | 0.022 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_1192_CdSe | vasp_tbmbj | MAE | 0.01 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bandgap_JVASP_7630_BAs | vasp_optb88vdw | MAE | 0.045 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_1390_SrO | qmcpack_team__dmc_002 | MAE | 1.69 | QMCPACK | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_7870_MnO | qmcpack_team__dmc_002 | MAE | 10.0 | QMCPACK | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_20793_Y2O3 | qmcpack_team__dmc_002 | MAE | 23.7 | QMCPACK | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_1306_BaO | qmcpack_team__dmc_002 | MAE | 2.35 | QMCPACK | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_92796_La2O3 | qmcpack_team__dmc_002 | MAE | 20.34 | QMCPACK | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_7871_NiO | qmcpack_team__dmc_002 | MAE | 5.0 | QMCPACK | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_20290_Sc2O3 | qmcpack_team__dmc_002 | MAE | 29.65 | QMCPACK | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_1405_CaO | qmcpack_team__dmc_002 | MAE | 0.38 | QMCPACK | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_87128_CoO | qmcpack_team__dmc_002 | MAE | 1.0 | QMCPACK | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_epsx_JVASP_75_WSe2 | vasp_optb88vdw_dfpt | MAE | 3.7241 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_epsx_JVASP_8041_HgTe | vasp_optb88vdw_linopt | MAE | 3.2251 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_max_piezoelec_JVASP_57695_BN | vasp_optb88vdw_dfpt | MAE | 0.4967 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_max_piezoelec_JVASP_39_AlN | vasp_optb88vdw_dfpt | MAE | 1.1309 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_max_piezoelec_JVASP_35711_GaSb | vasp_optb88vdw_dfpt | MAE | 0.84 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_epsx_JVASP_57_MoSe2 | vasp_optb88vdw_linopt | MAE | 0.5049 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_epsx_JVASP_17_BN | vasp_optb88vdw_linopt | MAE | 0.307 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_epsx_JVASP_2355_ZnGeP2 | vasp_optb88vdw_dfpt | MAE | 0.2855 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_max_piezoelec_JVASP_1408_AlSb | vasp_optb88vdw_dfpt | MAE | 0.6711 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_max_piezoelec_JVASP_41_SiO2 | vasp_optb88vdw_dfpt | MAE | 0.0115 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_max_piezoelec_JVASP_1240_LiNbO3 | vasp_optb88vdw_dfpt | MAE | 0.7074 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_epsx_JVASP_72_WS2 | vasp_optb88vdw_dfpt | MAE | 2.4098 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_max_piezoelec_JVASP_7648_ZnS | vasp_optb88vdw_dfpt | MAE | 0.3974 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_max_piezoelec_JVASP_30_GaN | vasp_optb88vdw_dfpt | MAE | 0.313 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_max_piezoelec | vasp_optb88vdw_dfpt | MAE | 1.0853 | JARVIS | dft_3d | 16 |
ES | SinglePropertyPrediction | dft_3d_max_piezoelec_JVASP_8047_ZnSe | vasp_optb88vdw_dfpt | MAE | 0.4686 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_max_piezoelec_JVASP_110_BaTiO3 | vasp_optb88vdw_dfpt | MAE | 5.109 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_epsx_JVASP_54_MoS2 | vasp_optb88vdw_linopt | MAE | 0.8649 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_max_piezoelec_JVASP_3450_TiPbO3 | vasp_optb88vdw_dfpt | MAE | 4.3759 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_epsx_JVASP_1327_AlP | vasp_optb88vdw_linopt | MAE | 1.0729 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_epsx | vasp_optb88vdw_linopt | MAE | 1.4638 | JARVIS | dft_3d | 16 |
ES | SinglePropertyPrediction | dft_3d_epsx_JVASP_1408_AlSb | vasp_optb88vdw_linopt | MAE | 0.3367 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_epsx_JVASP_23_CdTe | vasp_optb88vdw_linopt | MAE | 2.9228 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_epsx_JVASP_1312_BP | vasp_optb88vdw_linopt | MAE | 1.8931 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_epsx_JVASP_182_SiC | vasp_optb88vdw_linopt | MAE | 0.3837 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_max_piezoelec_JVASP_1180_InN | vasp_optb88vdw_dfpt | MAE | 0.0086 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_max_piezoelec_JVASP_1372_AlAs | vasp_optb88vdw_dfpt | MAE | 0.8201 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_max_piezoelec_JVASP_1195_ZnO | vasp_optb88vdw_dfpt | MAE | 0.7625 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_epsx_JVASP_1702_ZnS | vasp_optb88vdw_dfpt | MAE | 1.3908 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_epsx_JVASP_1393_GaP | vasp_optb88vdw_linopt | MAE | 0.4888 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_epsx_JVASP_2376_ZnSiP2 | vasp_optb88vdw_linopt | MAE | 0.1707 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_epsx_JVASP_60_Te2Mo | vasp_optb88vdw_linopt | MAE | 0.7269 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_max_piezoelec_JVASP_20778_BeO | vasp_optb88vdw_dfpt | MAE | 0.4868 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_max_piezoelec_JVASP_1327_AlP | vasp_optb88vdw_dfpt | MAE | 0.7648 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_Tc_supercon_JVASP_15938_Nb3Si | qe_pbesol_gbrv | MAE | 1.4986 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_Tc_supercon_JVASP_19889_NbC | qe_pbesol_gbrv_tetrahedron | MAE | 1.0 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_Tc_supercon | qe_pbesol_gbrv | MAE | 3.3785 | JARVIS | dft_3d | 14 |
ES | SinglePropertyPrediction | dft_3d_Tc_supercon_JVASP_961_Pb | qe_pbesol_gbrv_tetrahedron | MAE | 1.8 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_Tc_supercon_JVASP_36335_NbN | qe_pbesol_gbrv | MAE | 1.5652 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_Tc_supercon_JVASP_14837_V | qe_pbesol_gbrv | MAE | 12.957 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_Tc_supercon_JVASP_20620_YB6 | qe_pbesol_gbrv | MAE | 2.0599 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_Tc_supercon_JVASP_11981_Nb3Al | qe_pbesol_gbrv | MAE | 7.8436 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_Tc_supercon_JVASP_1014_Ta | qe_pbesol_gbrv | MAE | 3.1395 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_2d_Tc_supercon_JVASP_646_NbS2 | qe_pbesol_gbrv | MAE | 2.2 | JARVIS | dft_2d | 1 |
ES | SinglePropertyPrediction | dft_3d_Tc_supercon_JVASP_1151_MgB2 | qe_pbesol_gbrv | MAE | 6.3148 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_Tc_supercon_JVASP_934_Nb | qe_pbesol_gbrv | MAE | 1.4233 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_Tc_supercon_JVASP_816_Al | qe_pbesol_gbrv | MAE | 0.3995 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_Tc_supercon_JVASP_14960_V3Si | qe_pbesol_gbrv | MAE | 0.6329 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_2d_Tc_supercon_JVASP_655_NbSe2 | qe_pbesol_gbrv | MAE | 1.9 | JARVIS | dft_2d | 1 |
ES | SinglePropertyPrediction | dft_3d_Tc_supercon_JVASP_19679_ZrN | qe_pbesol_gbrv | MAE | 0.2645 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_Tc_supercon_JVASP_14492_NbO | qe_pbesol_gbrv | MAE | 2.2134 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_867_Cu | vasp_optb88vdw | MAE | 0.6 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_25114_K | vasp_opt86b | MAE | 0.1 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_1174_GaAs | qmcpack_dmc_pbe | MAE | 0.9669 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_890_Ge | qmcpack_dmc_pbe | MAE | 2.1838 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_963_Pd | vasp_optcx13 | MAE | 5.1 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_182_SiC | vasp_optcx13 | MAE | 7.1 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_23862_NaCl | vasp_opt86b | MAE | 0.3 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_14813_Rb | vasp_pbe_mp | MAE | 0.1 | MP | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus | vasp_opt86b | MAE | 4.6619 | JARVIS | dft_3d | 21 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_14604_Ba | vasp_optcx13 | MAE | 0.1 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_1130_LiF | vasp_pbe_mp | MAE | 0.2 | MP | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_984_Rh | vasp_optb88vdw | MAE | 8.3 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_116_MgO | vasp_optb88vdw | MAE | 4.33 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_14606_Ag | vasp_opt86b | MAE | 1.6 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_20326_NaF | vasp_opt86b | MAE | 0.5 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_91_C | vasp_optcx13 | MAE | 4.0 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_816_Al | vasp_optcx13 | MAE | 0.2 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_21208_Sr | vasp_opt86b | MAE | 0.0 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_25065_Li | vasp_optcx13 | MAE | 0.0 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_25180_Ca | vasp_opt86b | MAE | 0.5 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_23864_LiCl | vasp_optb88vdw | MAE | 0.13 | JARVIS | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_14590_Hf | qmcpack_team__dmc_003 | MAE | 0.4 | QMCPACK | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_113_ZrO2 | qmcpack_team__dmc_003 | MAE | 42.0 | QMCPACK | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_350_ZrO2 | qmcpack_team__dmc_003 | MAE | 93.0 | QMCPACK | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_9147_HfO2 | qmcpack_team__dmc_003 | MAE | 8.0 | QMCPACK | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_14612_Zr | qmcpack_team__dmc_003 | MAE | 4.0 | QMCPACK | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_7809_ZrO2 | qmcpack_team__dmc_003 | MAE | 30.0 | QMCPACK | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_34249_HfO2 | qmcpack_team__dmc_003 | MAE | 55.0 | QMCPACK | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_cubic_lattice_param_a | vasp_optb88vdw | MAE | 0.0491 | JARVIS | dft_3d | 64 |
ES | SinglePropertyPrediction | vacancydb_ef | vasp_optb88vdw | MAE | 0.3026 | JARVIS | vacancydb | 39 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_79204_BN | qmcpack_team__dmc_001 | MAE | 10.86 | QMCPACK | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_834_Be | qmcpack_team__dmc_001 | MAE | 2.37 | QMCPACK | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_1312_BP | qmcpack_team__dmc_001 | MAE | 4.85 | QMCPACK | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_25248_Xe | qmcpack_team__dmc_001 | MAE | 0.19 | QMCPACK | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_819_Ar | qmcpack_team__dmc_001 | MAE | 0.42 | QMCPACK | dft_3d | 1 |
ES | SinglePropertyPrediction | dft_3d_bulk_modulus_JVASP_25213_Kr | qmcpack_team__dmc_001 | MAE | 0.24 | QMCPACK | dft_3d | 1 |