osc_id stringlengths 9 9 | material_id stringlengths 4 19 | c2db_uid stringlengths 4 19 | formula stringlengths 2 16 | family stringclasses 8
values | weight_class stringclasses 3
values | sc_relevance float64 0.4 0.83 ⌀ | status stringclasses 1
value | t_ev float64 0.01 0.74 | U_ev float64 0.1 5.89 | U_over_t float64 8 8 | ef_scf_ev float64 -5.8 7.43 | n_band float64 0.02 2 | delta_hole float64 -1 0.98 ⌀ | solver_delta float64 0 0.94 | nef float64 0 1.89 | nef_method stringclasses 1
value | A_dwave float64 -0 0.06 | runtime_s float64 | ph_mapped float64 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
OSC-02017 | 2FHf-1 | 2FHf-1 | F2Hf2 | discovery | light | null | ok | 0.34485 | 2.7588 | 8 | 2.1361 | 1.6381 | null | 0.6111 | 0.12642 | gaussian_dos_scf_mesh | 0.00262 | null | null |
OSC-02018 | 1IPdF2-1 | 1IPdF2-1 | F2IPd | discovery | light | null | ok | 0.25657 | 2.05256 | 8 | -2.8369 | 0.9829 | null | 0.0556 | 0.51747 | gaussian_dos_scf_mesh | 0.04523 | null | null |
OSC-02020 | 2FMo-1 | 2FMo-1 | F2Mo2 | discovery | light | null | ok | 0.16086 | 1.28688 | 8 | 1.683 | 1.7478 | null | 0.7222 | 0.47057 | gaussian_dos_scf_mesh | 0.00718 | null | null |
OSC-02026 | 2FRu-2 | 2FRu-2 | F2Ru2 | discovery | light | null | ok | 0.33927 | 2.71416 | 8 | 0.843 | 1.4343 | null | 0.4444 | 1.00126 | gaussian_dos_scf_mesh | 0 | null | null |
OSC-02029 | 2FZr-1 | 2FZr-1 | F2Zr2 | discovery | light | null | ok | 0.26241 | 2.09928 | 8 | 1.8728 | 1.7025 | null | 0.6667 | 0.42918 | gaussian_dos_scf_mesh | 0.00483 | null | null |
OSC-02035 | 2FeMgSi-1 | 2FeMgSi-1 | Fe2Mg2Si2 | discovery | light | null | ok | 0.07478 | 0.59824 | 8 | 1.1228 | 1.6906 | null | 0.6667 | 0.82385 | gaussian_dos_scf_mesh | 0.00483 | null | null |
OSC-02036 | 2FeSiSr-1 | 2FeSiSr-1 | Fe2Si2Sr2 | discovery | light | null | ok | 0.06963 | 0.55704 | 8 | 2.3389 | 1.7364 | null | 0.7222 | 0.90668 | gaussian_dos_scf_mesh | 0.00718 | null | null |
OSC-02040 | 1GaI2-2 | 1GaI2-2 | GaI2 | discovery | light | null | ok | 0.13758 | 1.10064 | 8 | -1.2884 | 1 | null | 0 | 0.76282 | gaussian_dos_scf_mesh | 0.03844 | null | null |
OSC-02041 | 1GaI2-3 | 1GaI2-3 | GaI2 | discovery | light | null | ok | 0.15443 | 1.23544 | 8 | -1.5144 | 0.9886 | null | 0 | 0.74102 | gaussian_dos_scf_mesh | 0.03844 | null | null |
OSC-02042 | 1GaI2Ni5-1 | 1GaI2Ni5-1 | GaI2Ni5 | discovery | light | null | ok | 0.07348 | 0.58784 | 8 | 2.9305 | 1.1245 | null | 0.1111 | 0.78293 | gaussian_dos_scf_mesh | 0.04726 | null | null |
OSC-02049 | 1IrH2-1 | 1IrH2-1 | H2Ir | discovery | light | null | ok | 0.45887 | 3.67096 | 8 | -0.8026 | 0.9631 | null | 0.0556 | 0.3732 | gaussian_dos_scf_mesh | 0.04523 | null | null |
OSC-02053 | 2HNi-1 | 2HNi-1 | H2Ni2 | discovery | light | null | ok | 0.41145 | 3.2916 | 8 | 0.0409 | 1.1557 | null | 0.1667 | 0.92291 | gaussian_dos_scf_mesh | 0.05569 | null | null |
OSC-02055 | 2HPd-1 | 2HPd-1 | H2Pd2 | discovery | light | null | ok | 0.48889 | 3.91112 | 8 | 0.4311 | 1.0596 | null | 0.0556 | 0.36061 | gaussian_dos_scf_mesh | 0.04523 | null | null |
OSC-02056 | 1ReH2-1 | 1ReH2-1 | H2Re | discovery | light | null | ok | 0.30895 | 2.4716 | 8 | -0.6012 | 1.0725 | null | 0.0556 | 0.37781 | gaussian_dos_scf_mesh | 0.04523 | null | null |
OSC-02057 | 1RuH2-1 | 1RuH2-1 | H2Ru | discovery | light | null | ok | 0.28807 | 2.30456 | 8 | -1.1538 | 1.9586 | null | 0.9444 | 0.40911 | gaussian_dos_scf_mesh | 0.00283 | null | null |
OSC-02058 | 1TaH2-1 | 1TaH2-1 | H2Ta | discovery | light | null | ok | 0.17408 | 1.39264 | 8 | -0.5046 | 0.9946 | null | 0 | 0.64923 | gaussian_dos_scf_mesh | 0.03844 | null | null |
OSC-02064 | 2MoH3-1 | 2MoH3-1 | H6Mo2 | discovery | light | null | ok | 0.2887 | 2.3096 | 8 | -2.4093 | 1.4487 | null | 0.4444 | 0.21586 | gaussian_dos_scf_mesh | 0 | null | null |
OSC-02065 | 2WH3-1 | 2WH3-1 | H6W2 | discovery | light | null | ok | 0.34718 | 2.77744 | 8 | -1.9916 | 1.4463 | null | 0.4444 | 0.16131 | gaussian_dos_scf_mesh | 0 | null | null |
OSC-02076 | 1InI2-3 | 1InI2-3 | I2In | discovery | light | null | ok | 0.10838 | 0.86704 | 8 | -1.4534 | 1 | null | 0 | 0.84562 | gaussian_dos_scf_mesh | 0.03844 | null | null |
OSC-02077 | 1InI2Ni5-1 | 1InI2Ni5-1 | I2InNi5 | discovery | light | null | ok | 0.06695 | 0.5356 | 8 | 2.9506 | 1.1081 | null | 0.1111 | 0.8105 | gaussian_dos_scf_mesh | 0.04726 | null | null |
OSC-02078 | 1InI2Pt5-1 | 1InI2Pt5-1 | I2InPt5 | discovery | light | null | ok | 0.08837 | 0.70696 | 8 | 4.0719 | 1.0845 | null | 0.0556 | 0.49577 | gaussian_dos_scf_mesh | 0.04523 | null | null |
OSC-02082 | 2IPd-2 | 2IPd-2 | I2Pd2 | discovery | light | null | ok | 0.16243 | 1.29944 | 8 | 0.3233 | 1.7394 | null | 0.7222 | 1.64958 | gaussian_dos_scf_mesh | 0.00718 | null | null |
OSC-02083 | 2IRe-1 | 2IRe-1 | I2Re2 | discovery | light | null | ok | 0.11662 | 0.93296 | 8 | 3.0274 | 1.9814 | null | 0.9444 | 0.22336 | gaussian_dos_scf_mesh | 0.00283 | null | null |
OSC-02088 | 2IRu-1 | 2IRu-1 | I2Ru2 | discovery | light | null | ok | 0.12349 | 0.98792 | 8 | 2.6488 | 1.3384 | null | 0.3333 | 1.35558 | gaussian_dos_scf_mesh | 0.04299 | null | null |
OSC-02092 | 2ITi-1 | 2ITi-1 | I2Ti2 | discovery | light | null | ok | 0.2162 | 1.7296 | 8 | 0.9471 | 1.5756 | null | 0.5556 | 0.55243 | gaussian_dos_scf_mesh | 0 | null | null |
OSC-02093 | 1TlI2-3 | 1TlI2-3 | I2Tl | discovery | light | null | ok | 0.09637 | 0.77096 | 8 | -2.2624 | 0.9491 | null | 0.0556 | 0.98736 | gaussian_dos_scf_mesh | 0.04523 | null | null |
OSC-02094 | 2NbI2-1 | 2NbI2-1 | I4Nb2 | discovery | light | null | ok | 0.26622 | 2.12976 | 8 | 1.8127 | 1.7566 | null | 0.7222 | 0.42888 | gaussian_dos_scf_mesh | 0.00718 | null | null |
OSC-02098 | 2TaI2-1 | 2TaI2-1 | I4Ta2 | discovery | light | null | ok | 0.27948 | 2.23584 | 8 | 2.1658 | 1.7605 | null | 0.7222 | 0.37697 | gaussian_dos_scf_mesh | 0.00718 | null | null |
OSC-02116 | 1IrLi2-1 | 1IrLi2-1 | IrLi2 | discovery | light | null | ok | 0.45428 | 3.63424 | 8 | 1.0279 | 0.5578 | null | 0.4444 | 1.29041 | gaussian_dos_scf_mesh | 0 | null | null |
OSC-02118 | 1NiLi2-1 | 1NiLi2-1 | Li2Ni | discovery | light | null | ok | 0.44116 | 3.52928 | 8 | -0.1203 | 1.112 | null | 0.1111 | 0.86834 | gaussian_dos_scf_mesh | 0.04726 | null | null |
OSC-02119 | 1OsLi2-1 | 1OsLi2-1 | Li2Os | discovery | light | null | ok | 0.34095 | 2.7276 | 8 | 1.1801 | 1.4719 | null | 0.4444 | 0.69832 | gaussian_dos_scf_mesh | 0 | null | null |
OSC-02121 | 1PtLi2-1 | 1PtLi2-1 | Li2Pt | discovery | light | null | ok | 0.51075 | 4.086 | 8 | 0.8232 | 1.0898 | null | 0.0556 | 0.92083 | gaussian_dos_scf_mesh | 0.04523 | null | null |
OSC-02122 | 1RhLi2-1 | 1RhLi2-1 | Li2Rh | discovery | light | null | ok | 0.46582 | 3.72656 | 8 | 0.6535 | 0.5674 | null | 0.4444 | 1.28897 | gaussian_dos_scf_mesh | 0 | null | null |
OSC-02142 | 2OTl-2 | 2OTl-2 | O2Tl2 | discovery | light | null | ok | 0.40036 | 3.20288 | 8 | -1.7386 | 0.0589 | null | 0.9444 | 0.39601 | gaussian_dos_scf_mesh | 0.00283 | null | null |
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