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-01703 | 1AsTe2-2 | 1AsTe2-2 | AsTe2 | discovery | light | null | ok | 0.27038 | 2.16304 | 8 | -0.1726 | 1.3151 | null | 0.2778 | 0.80096 | gaussian_dos_scf_mesh | 0.05849 | null | null |
OSC-01705 | 1B2F2S2Ti3-1 | 1B2F2S2Ti3-1 | B2F2S2Ti3 | discovery | light | null | ok | 0.16077 | 1.28616 | 8 | 0.6703 | 0.489 | null | 0.5 | 0.4404 | gaussian_dos_scf_mesh | 0 | null | null |
OSC-01706 | 1B2F2Se2Zr3-1 | 1B2F2Se2Zr3-1 | B2F2Se2Zr3 | discovery | light | null | ok | 0.13712 | 1.09696 | 8 | 0.7931 | 0.3011 | null | 0.7222 | 0.34483 | gaussian_dos_scf_mesh | 0.00718 | null | null |
OSC-01707 | 1B2H2S2Ti3-1 | 1B2H2S2Ti3-1 | B2H2S2Ti3 | discovery | light | null | ok | 0.14275 | 1.142 | 8 | 2.7908 | 0.6481 | null | 0.3889 | 0.59794 | gaussian_dos_scf_mesh | 0.01269 | null | null |
OSC-01708 | 1B2H2S2V3-1 | 1B2H2S2V3-1 | B2H2S2V3 | discovery | light | null | ok | 0.11865 | 0.9492 | 8 | 3.8398 | 0.8581 | null | 0.1667 | 0.22331 | gaussian_dos_scf_mesh | 0.05569 | null | null |
OSC-01710 | 1B2H2Se2Ti3-1 | 1B2H2Se2Ti3-1 | B2H2Se2Ti3 | discovery | light | null | ok | 0.17834 | 1.42672 | 8 | 2.6585 | 1.614 | null | 0.6111 | 0.36079 | gaussian_dos_scf_mesh | 0.00262 | null | null |
OSC-01711 | 1B2H2Se2Zr3-1 | 1B2H2Se2Zr3-1 | B2H2Se2Zr3 | discovery | light | null | ok | 0.15242 | 1.21936 | 8 | 3.0355 | 1.6272 | null | 0.6111 | 0.26992 | gaussian_dos_scf_mesh | 0.00262 | null | null |
OSC-01712 | 1CuBa2Br2S2-1 | 1CuBa2Br2S2-1 | Ba2Br2CuS2 | discovery | light | null | ok | 0.39721 | 3.17768 | 8 | 0.4169 | 1.0494 | null | 0.0556 | 0.33203 | gaussian_dos_scf_mesh | 0.04523 | null | null |
OSC-01717 | 1SSbBi2I2Se2-1 | 1SSbBi2I2Se2-1 | Bi2I2SSbSe2 | discovery | light | null | ok | 0.24175 | 1.934 | 8 | 0.3247 | 0.8424 | null | 0.1667 | 0.25323 | gaussian_dos_scf_mesh | 0.05569 | null | null |
OSC-01721 | 1BiS2-1 | 1BiS2-1 | BiS2 | discovery | light | null | ok | 0.11259 | 0.90072 | 8 | -2.1372 | 0.9966 | null | 0 | 0.86555 | gaussian_dos_scf_mesh | 0.03844 | null | null |
OSC-01722 | 1BiSe2-1 | 1BiSe2-1 | BiSe2 | discovery | light | null | ok | 0.11256 | 0.90048 | 8 | -1.7262 | 0.9568 | null | 0.0556 | 0.84086 | gaussian_dos_scf_mesh | 0.04523 | null | null |
OSC-01723 | 1BiTe2-1 | 1BiTe2-1 | BiTe2 | discovery | light | null | ok | 0.10496 | 0.83968 | 8 | -0.792 | 1.3106 | null | 0.2778 | 0.7261 | gaussian_dos_scf_mesh | 0.05849 | null | null |
OSC-01724 | 1CuRhBr2S2-1 | 1CuRhBr2S2-1 | Br2CuRhS2 | discovery | light | null | ok | 0.10458 | 0.83664 | 8 | -1.2923 | 1.3982 | null | 0.3889 | 0.64662 | gaussian_dos_scf_mesh | 0.01269 | null | null |
OSC-01725 | 1IBr2Hf2Se2Zr2S3-1 | 1IBr2Hf2Se2Zr2S3-1 | Br2Hf2IS3Se2Zr2 | discovery | light | null | ok | 0.10597 | 0.84776 | 8 | -0.1734 | 0.9359 | null | 0.0556 | 0.42332 | gaussian_dos_scf_mesh | 0.04523 | null | null |
OSC-01726 | 1IrPdBr2S2-1 | 1IrPdBr2S2-1 | Br2IrPdS2 | discovery | light | null | ok | 0.2017 | 1.6136 | 8 | -0.4144 | 0.6932 | null | 0.3333 | 0.52766 | gaussian_dos_scf_mesh | 0.04299 | null | null |
OSC-01727 | 1ClSZrBr3Hf3Se3-1 | 1ClSZrBr3Hf3Se3-1 | Br3ClHf3SSe3Zr | discovery | light | null | ok | 0.14801 | 1.18408 | 8 | 0.1134 | 1.2779 | null | 0.2778 | 0.45343 | gaussian_dos_scf_mesh | 0.05849 | null | null |
OSC-01728 | 1ClIr2Pd2Br3S4-1 | 1ClIr2Pd2Br3S4-1 | Br3ClIr2Pd2S4 | discovery | light | null | ok | 0.18696 | 1.49568 | 8 | -0.6239 | 0.9989 | null | 0 | 0.29259 | gaussian_dos_scf_mesh | 0.03844 | null | null |
OSC-01729 | 1GeBr3Hf3Te5-1 | 1GeBr3Hf3Te5-1 | Br3GeHf3Te5 | discovery | light | null | ok | 0.06875 | 0.55 | 8 | -0.1969 | 0.7366 | null | 0.2778 | 0.50674 | gaussian_dos_scf_mesh | 0.05849 | null | null |
OSC-01731 | 1ClSe2Pd4Br5-1 | 1ClSe2Pd4Br5-1 | Br5ClPd4Se2 | discovery | light | null | ok | 0.05301 | 0.42408 | 8 | -1.811 | 1.0818 | null | 0.0556 | 0.66305 | gaussian_dos_scf_mesh | 0.04523 | null | null |
OSC-01733 | 1BrCoINiS2-1 | 1BrCoINiS2-1 | BrCoINiS2 | discovery | light | null | ok | 0.19432 | 1.55456 | 8 | -0.4447 | 0.7072 | null | 0.3333 | 0.51129 | gaussian_dos_scf_mesh | 0.04299 | null | null |
OSC-01734 | 1BrSIr2Pd2I3Se3-1 | 1BrSIr2Pd2I3Se3-1 | BrI3Ir2Pd2SSe3 | discovery | light | null | ok | 0.17859 | 1.42872 | 8 | -0.2445 | 1.003 | null | 0 | 0.29319 | gaussian_dos_scf_mesh | 0.03844 | null | null |
OSC-01735 | 1BrIrI3Ni5S6-1 | 1BrIrI3Ni5S6-1 | BrI3IrNi5S6 | discovery | light | null | ok | 0.04936 | 0.39488 | 8 | -0.9383 | 0.5221 | null | 0.5 | 0.46185 | gaussian_dos_scf_mesh | 0 | null | null |
OSC-01738 | 1C2F2S2Zr3-1 | 1C2F2S2Zr3-1 | C2F2S2Zr3 | discovery | light | null | ok | 0.17666 | 1.41328 | 8 | 2.7581 | 1.963 | null | 0.9444 | 0.10735 | gaussian_dos_scf_mesh | 0.00283 | null | null |
OSC-01739 | 1C2F2Se2Zr3-1 | 1C2F2Se2Zr3-1 | C2F2Se2Zr3 | discovery | light | null | ok | 0.13782 | 1.10256 | 8 | 2.4751 | 0.0955 | null | 0.9444 | 0.21879 | gaussian_dos_scf_mesh | 0.00283 | null | null |
OSC-01743 | 1C2H2Se2V3-1 | 1C2H2Se2V3-1 | C2H2Se2V3 | discovery | light | null | ok | 0.17663 | 1.41304 | 8 | 3.8752 | 1.278 | null | 0.2778 | 0.56806 | gaussian_dos_scf_mesh | 0.05849 | null | null |
OSC-01744 | 1CdGaInSe4-1 | 1CdGaInSe4-1 | CdGaInSe4 | discovery | light | null | ok | 0.2869 | 2.2952 | 8 | -1.2771 | 0.0436 | null | 0.9444 | 0.1385 | gaussian_dos_scf_mesh | 0.00283 | null | null |
OSC-01746 | 1ClI3Pd4S4-1 | 1ClI3Pd4S4-1 | ClI3Pd4S4 | discovery | light | null | ok | 0.16186 | 1.29488 | 8 | -0.329 | 1.6418 | null | 0.6111 | 0.50554 | gaussian_dos_scf_mesh | 0.00262 | null | null |
OSC-01748 | 2NbSSeCo2-1 | 2NbSSeCo2-1 | Co4Nb2S2Se2 | discovery | light | null | ok | 0.12628 | 1.01024 | 8 | -1.239 | 0.9881 | null | 0 | 0.58901 | gaussian_dos_scf_mesh | 0.03844 | null | null |
OSC-01750 | 1Cu2I2Sr3S4-1 | 1Cu2I2Sr3S4-1 | Cu2I2S4Sr3 | discovery | light | null | ok | 0.3733 | 2.9864 | 8 | -0.9662 | 0.9607 | null | 0.0556 | 0.40618 | gaussian_dos_scf_mesh | 0.04523 | null | null |
OSC-01751 | 1FeNbSSe-1 | 1FeNbSSe-1 | FeNbSSe | discovery | light | null | ok | 0.17106 | 1.36848 | 8 | -1.9348 | 1.155 | null | 0.1667 | 0.85639 | gaussian_dos_scf_mesh | 0.05569 | null | null |
OSC-01752 | 2GeIS-1 | 2GeIS-1 | Ge2I2S2 | discovery | light | null | ok | 0.20373 | 1.62984 | 8 | -1.1436 | 1.2918 | null | 0.2778 | 0.56447 | gaussian_dos_scf_mesh | 0.05849 | null | null |
OSC-01754 | 1SbGe2Se6-1 | 1SbGe2Se6-1 | Ge2SbSe6 | discovery | light | null | ok | 0.13445 | 1.0756 | 8 | -3.2794 | 0.9138 | null | 0.1111 | 0.19338 | gaussian_dos_scf_mesh | 0.04726 | null | null |
OSC-01755 | 1GeSbTe4-1 | 1GeSbTe4-1 | GeSbTe4 | discovery | light | null | ok | 0.23271 | 1.86168 | 8 | -0.2286 | 0.8548 | null | 0.1667 | 0.31285 | gaussian_dos_scf_mesh | 0.05569 | null | null |
OSC-01757 | 1GeTe2-2 | 1GeTe2-2 | GeTe2 | discovery | light | null | ok | 0.19531 | 1.56248 | 8 | -0.7502 | 0.455 | null | 0.5556 | 0.53494 | gaussian_dos_scf_mesh | 0 | null | null |
OSC-01758 | 1HfI2Zr2S3-1 | 1HfI2Zr2S3-1 | HfI2S3Zr2 | discovery | light | null | ok | 0.25608 | 2.04864 | 8 | 0.4083 | 0.7591 | null | 0.2778 | 0.43659 | gaussian_dos_scf_mesh | 0.05849 | null | null |
OSC-01759 | 1IrNiSSeI2-1 | 1IrNiSSeI2-1 | I2IrNiSSe | discovery | light | null | ok | 0.15367 | 1.22936 | 8 | 0.0412 | 0.7031 | null | 0.3333 | 0.64242 | gaussian_dos_scf_mesh | 0.04299 | null | null |
OSC-01762 | 1SSeI2Nb2-1 | 1SSeI2Nb2-1 | I2Nb2SSe | discovery | light | null | ok | 0.14826 | 1.18608 | 8 | 0.3598 | 1.7436 | null | 0.7222 | 0.48085 | gaussian_dos_scf_mesh | 0.00718 | null | null |
OSC-01763 | 1NiPdI2S2-1 | 1NiPdI2S2-1 | I2NiPdS2 | discovery | light | null | ok | 0.2161 | 1.7288 | 8 | -0.0476 | 1.2555 | null | 0.2222 | 0.75557 | gaussian_dos_scf_mesh | 0.04812 | null | null |
OSC-01764 | 1SSeI2Ta2-1 | 1SSeI2Ta2-1 | I2SSeTa2 | discovery | light | null | ok | 0.17527 | 1.40216 | 8 | 0.7176 | 1.7212 | null | 0.7222 | 0.44359 | gaussian_dos_scf_mesh | 0.00718 | null | null |
OSC-01765 | 2ISeSn-1 | 2ISeSn-1 | I2Se2Sn2 | discovery | light | null | ok | 0.18542 | 1.48336 | 8 | -1.2638 | 1.3144 | null | 0.2778 | 0.57276 | gaussian_dos_scf_mesh | 0.05849 | null | null |
OSC-01766 | 2InTe-4 | 2InTe-4 | In2Te2 | discovery | light | null | ok | 0.37996 | 3.03968 | 8 | -1.8471 | 1.0859 | null | 0.0556 | 0.6546 | gaussian_dos_scf_mesh | 0.04523 | null | null |
OSC-01768 | 1OsRhRe2Se3S5-1 | 1OsRhRe2Se3S5-1 | OsRe2RhS5Se3 | discovery | light | null | ok | 0.05119 | 0.40952 | 8 | 0.1235 | 0.8676 | null | 0.1667 | 0.37986 | gaussian_dos_scf_mesh | 0.05569 | null | null |
OSC-01770 | 1PSn2Se6-1 | 1PSn2Se6-1 | PSe6Sn2 | discovery | light | null | ok | 0.05327 | 0.42616 | 8 | -3.1919 | 0.9426 | null | 0.0556 | 0.40437 | gaussian_dos_scf_mesh | 0.04523 | null | null |
OSC-01771 | 1SbS2-1 | 1SbS2-1 | S2Sb | discovery | light | null | ok | 0.15266 | 1.22128 | 8 | -1.4248 | 1 | null | 0 | 0.67463 | gaussian_dos_scf_mesh | 0.03844 | null | null |
OSC-01772 | 1SbS2-3 | 1SbS2-3 | S2Sb | discovery | light | null | ok | 0.16264 | 1.30112 | 8 | -1.5436 | 0.9817 | null | 0.0556 | 0.7475 | gaussian_dos_scf_mesh | 0.04523 | null | null |
OSC-01773 | 1SbSe2-1 | 1SbSe2-1 | SbSe2 | discovery | light | null | ok | 0.16744 | 1.33952 | 8 | -1.1731 | 0.9993 | null | 0 | 0.67528 | gaussian_dos_scf_mesh | 0.03844 | null | null |
OSC-01774 | 1SbSe2-3 | 1SbSe2-3 | SbSe2 | discovery | light | null | ok | 0.16027 | 1.28216 | 8 | -1.2244 | 1.2253 | null | 0.2222 | 0.7252 | gaussian_dos_scf_mesh | 0.04812 | null | null |
OSC-01775 | 1SbTe2-1 | 1SbTe2-1 | SbTe2 | discovery | light | null | ok | 0.14204 | 1.13632 | 8 | -0.7526 | 1.0823 | null | 0.0556 | 0.85781 | gaussian_dos_scf_mesh | 0.04523 | null | null |
OSC-01776 | 1SbTe2-2 | 1SbTe2-2 | SbTe2 | discovery | light | null | ok | 0.2036 | 1.6288 | 8 | -0.0099 | 1.3677 | null | 0.3333 | 0.43176 | gaussian_dos_scf_mesh | 0.04299 | null | null |
OSC-01779 | 2TeTl-1 | 2TeTl-1 | Te2Tl2 | discovery | light | null | ok | 0.30121 | 2.40968 | 8 | -2.3343 | 1.0632 | null | 0.0556 | 0.65061 | gaussian_dos_scf_mesh | 0.04523 | null | null |
OSC-01780 | 2TeTl-4 | 2TeTl-4 | Te2Tl2 | discovery | light | null | ok | 0.25048 | 2.00384 | 8 | -1.1308 | 1.5677 | null | 0.5556 | 0.54446 | gaussian_dos_scf_mesh | 0 | null | null |
OSC-01781 | 2TeTl-6 | 2TeTl-6 | Te2Tl2 | discovery | light | null | ok | 0.40744 | 3.25952 | 8 | -1.6035 | 1.4131 | null | 0.3889 | 0.37476 | gaussian_dos_scf_mesh | 0.01269 | null | null |
OSC-01827 | 1AgGeCl2-1 | 1AgGeCl2-1 | AgCl2Ge | discovery | light | null | ok | 0.43529 | 3.48232 | 8 | -1.8803 | 1.0006 | null | 0 | 0.00096 | gaussian_dos_scf_mesh | 0.03844 | null | null |
OSC-01829 | 1AlI2-1 | 1AlI2-1 | AlI2 | discovery | light | null | ok | 0.14259 | 1.14072 | 8 | -0.6472 | 1 | null | 0 | 0.73826 | gaussian_dos_scf_mesh | 0.03844 | null | null |
OSC-01830 | 1AlI2-3 | 1AlI2-3 | AlI2 | discovery | light | null | ok | 0.16216 | 1.29728 | 8 | -0.8518 | 1 | null | 0 | 0.6783 | gaussian_dos_scf_mesh | 0.03844 | null | null |
OSC-01831 | 1AlI2Ni5-1 | 1AlI2Ni5-1 | AlI2Ni5 | discovery | light | null | ok | 0.07425 | 0.594 | 8 | 2.7389 | 1.1194 | null | 0.1111 | 0.76062 | gaussian_dos_scf_mesh | 0.04726 | null | null |
OSC-01839 | 4AsTl-1 | 4AsTl-1 | As4Tl4 | discovery | light | null | ok | 0.25347 | 2.02776 | 8 | 0.8556 | 1.9561 | null | 0.9444 | 0.14148 | gaussian_dos_scf_mesh | 0.00283 | null | null |
OSC-01847 | 1AuI2-1 | 1AuI2-1 | AuI2 | discovery | light | null | ok | 0.19073 | 1.52584 | 8 | -2.5146 | 1.1746 | null | 0.1667 | 1.12885 | gaussian_dos_scf_mesh | 0.05569 | null | null |
OSC-01849 | 1B2Cl2Ta3-1 | 1B2Cl2Ta3-1 | B2Cl2Ta3 | discovery | light | null | ok | 0.29724 | 2.37792 | 8 | 4.8763 | 0.5781 | null | 0.4444 | 0.51463 | gaussian_dos_scf_mesh | 0 | null | null |
OSC-01851 | 1Cl2B3Hf4-1 | 1Cl2B3Hf4-1 | B3Cl2Hf4 | discovery | light | null | ok | 0.19434 | 1.55472 | 8 | 4.3528 | 1.4532 | null | 0.4444 | 0.35771 | gaussian_dos_scf_mesh | 0 | null | null |
OSC-01852 | 1BCl2Y2-1 | 1BCl2Y2-1 | BCl2Y2 | discovery | light | null | ok | 0.12552 | 1.00416 | 8 | 0.8889 | 1.0253 | null | 0 | 0.28055 | gaussian_dos_scf_mesh | 0.03844 | null | null |
OSC-01853 | 1BF2Hf2-1 | 1BF2Hf2-1 | BF2Hf2 | discovery | light | null | ok | 0.28274 | 2.26192 | 8 | 2.1184 | 0.9999 | null | 0 | 0.5106 | gaussian_dos_scf_mesh | 0.03844 | null | null |
OSC-01854 | 1BF2Ti2-1 | 1BF2Ti2-1 | BF2Ti2 | discovery | light | null | ok | 0.23177 | 1.85416 | 8 | 0.8408 | 0.9986 | null | 0 | 0.50818 | gaussian_dos_scf_mesh | 0.03844 | null | null |
OSC-01855 | 1BF2Y2-1 | 1BF2Y2-1 | BF2Y2 | discovery | light | null | ok | 0.19109 | 1.52872 | 8 | 1.3905 | 1.0625 | null | 0.0556 | 0.17146 | gaussian_dos_scf_mesh | 0.04523 | null | null |
OSC-01856 | 2BaCoGe-1 | 2BaCoGe-1 | Ba2Co2Ge2 | discovery | light | null | ok | 0.11187 | 0.89496 | 8 | 3.5744 | 1.2363 | null | 0.2222 | 1.11643 | gaussian_dos_scf_mesh | 0.04812 | null | null |
OSC-01857 | 2BaGeNi-1 | 2BaGeNi-1 | Ba2Ge2Ni2 | discovery | light | null | ok | 0.13274 | 1.06192 | 8 | 3.2254 | 1.2351 | null | 0.2222 | 0.93669 | gaussian_dos_scf_mesh | 0.04812 | null | null |
OSC-01858 | 1NBa2-1 | 1NBa2-1 | Ba2N | discovery | light | null | ok | 0.23842 | 1.90736 | 8 | -0.3382 | 0.7111 | null | 0.2778 | 0.79768 | gaussian_dos_scf_mesh | 0.05849 | null | null |
OSC-01860 | 2BiGa-1 | 2BiGa-1 | Bi2Ga2 | discovery | light | null | ok | 0.37189 | 2.97512 | 8 | -1.4411 | 1.9357 | null | 0.9444 | 0.23133 | gaussian_dos_scf_mesh | 0.00283 | null | null |
OSC-01870 | 1InBr2Pt5-1 | 1InBr2Pt5-1 | Br2InPt5 | discovery | light | null | ok | 0.09986 | 0.79888 | 8 | 3.4599 | 1.1913 | null | 0.1667 | 0.65023 | gaussian_dos_scf_mesh | 0.05569 | null | null |
OSC-01874 | 1TlBr2Pd5-1 | 1TlBr2Pd5-1 | Br2Pd5Tl | discovery | light | null | ok | 0.06727 | 0.53816 | 8 | 2.1243 | 1.1284 | null | 0.1111 | 0.64475 | gaussian_dos_scf_mesh | 0.04726 | null | null |
OSC-01877 | 2BrRu-1 | 2BrRu-1 | Br2Ru2 | discovery | light | null | ok | 0.18013 | 1.44104 | 8 | 2.0001 | 1.3672 | null | 0.3333 | 1.20442 | gaussian_dos_scf_mesh | 0.04299 | null | null |
OSC-01884 | 2BrZr-2 | 2BrZr-2 | Br2Zr2 | discovery | light | null | ok | 0.21886 | 1.75088 | 8 | -0.3183 | 1.7497 | null | 0.7222 | 0.62104 | gaussian_dos_scf_mesh | 0.00718 | null | null |
OSC-01913 | 1C2Mo3-1 | 1C2Mo3-1 | C2Mo3 | discovery | light | null | ok | 0.20633 | 1.65064 | 8 | 4.7528 | 0.3664 | null | 0.6667 | 0.57912 | gaussian_dos_scf_mesh | 0.00483 | null | null |
OSC-01914 | 1C2Nb3-1 | 1C2Nb3-1 | C2Nb3 | discovery | light | null | ok | 0.17945 | 1.4356 | 8 | 4.0952 | 0.7877 | null | 0.2222 | 0.70991 | gaussian_dos_scf_mesh | 0.04812 | null | null |
OSC-01915 | 1C2Sc3-1 | 1C2Sc3-1 | C2Sc3 | discovery | light | null | ok | 0.16479 | 1.31832 | 8 | 2.1794 | 0.7435 | null | 0.2778 | 0.57567 | gaussian_dos_scf_mesh | 0.05849 | null | null |
OSC-01916 | 1C2Ta3-1 | 1C2Ta3-1 | C2Ta3 | discovery | light | null | ok | 0.13898 | 1.11184 | 8 | 4.3464 | 0.8743 | null | 0.1667 | 0.4168 | gaussian_dos_scf_mesh | 0.05569 | null | null |
OSC-01917 | 1C2V3-1 | 1C2V3-1 | C2V3 | discovery | light | null | ok | 0.16637 | 1.33096 | 8 | 2.9372 | 0.5597 | null | 0.4444 | 0.85394 | gaussian_dos_scf_mesh | 0 | null | null |
OSC-01919 | 1C2Y3-1 | 1C2Y3-1 | C2Y3 | discovery | light | null | ok | 0.17666 | 1.41328 | 8 | 2.7701 | 0.6964 | null | 0.3333 | 0.51001 | gaussian_dos_scf_mesh | 0.04299 | null | null |
OSC-01920 | 1Cl2C3Y4-1 | 1Cl2C3Y4-1 | C3Cl2Y4 | discovery | light | null | ok | 0.152 | 1.216 | 8 | 2.737 | 0.8053 | null | 0.2222 | 0.70249 | gaussian_dos_scf_mesh | 0.04812 | null | null |
OSC-01921 | 1F2C3Sc4-1 | 1F2C3Sc4-1 | C3F2Sc4 | discovery | light | null | ok | 0.23769 | 1.90152 | 8 | 2.1969 | 0.9337 | null | 0.0556 | 0.48678 | gaussian_dos_scf_mesh | 0.04523 | null | null |
OSC-01922 | 1F2C3Y4-1 | 1F2C3Y4-1 | C3F2Y4 | discovery | light | null | ok | 0.18373 | 1.46984 | 8 | 2.9234 | 0.8624 | null | 0.1667 | 0.66325 | gaussian_dos_scf_mesh | 0.05569 | null | null |
OSC-01924 | 1H2C3Nb4-1 | 1H2C3Nb4-1 | C3H2Nb4 | discovery | light | null | ok | 0.23161 | 1.85288 | 8 | 5.1911 | 0.7634 | null | 0.2778 | 0.22434 | gaussian_dos_scf_mesh | 0.05849 | null | null |
OSC-01925 | 1H2C3Ta4-1 | 1H2C3Ta4-1 | C3H2Ta4 | discovery | light | null | ok | 0.22712 | 1.81696 | 8 | 5.7688 | 0.8358 | null | 0.1667 | 0.34176 | gaussian_dos_scf_mesh | 0.05569 | null | null |
OSC-01926 | 1H2C3V4-1 | 1H2C3V4-1 | C3H2V4 | discovery | light | null | ok | 0.19934 | 1.59472 | 8 | 3.8485 | 0.7791 | null | 0.2222 | 0.33402 | gaussian_dos_scf_mesh | 0.04812 | null | null |
OSC-01931 | 1C3V4-1 | 1C3V4-1 | C3V4 | discovery | light | null | ok | 0.0601 | 0.4808 | 8 | 4.5704 | 1.6783 | null | 0.6667 | 0.71714 | gaussian_dos_scf_mesh | 0.00483 | null | null |
OSC-01932 | 1C3Y4-1 | 1C3Y4-1 | C3Y4 | discovery | light | null | ok | 0.0851 | 0.6808 | 8 | 3.7531 | 1.6163 | null | 0.6111 | 0.59255 | gaussian_dos_scf_mesh | 0.00262 | null | null |
OSC-01933 | 1CTaTiCl2-1 | 1CTaTiCl2-1 | CCl2TaTi | discovery | light | null | ok | 0.28345 | 2.2676 | 8 | 2.56 | 0.9764 | null | 0.0556 | 0.44035 | gaussian_dos_scf_mesh | 0.04523 | null | null |
OSC-01934 | 1CF2V2-1 | 1CF2V2-1 | CF2V2 | discovery | light | null | ok | 0.22769 | 1.82152 | 8 | 0.599 | 1.5017 | null | 0.5 | 0.40872 | gaussian_dos_scf_mesh | 0 | null | null |
OSC-01936 | 1CH2Ti2-1 | 1CH2Ti2-1 | CH2Ti2 | discovery | light | null | ok | 0.21092 | 1.68736 | 8 | 0.3813 | 1.9721 | null | 0.9444 | 0.17007 | gaussian_dos_scf_mesh | 0.00283 | null | null |
OSC-01937 | 1CH2Zr2-1 | 1CH2Zr2-1 | CH2Zr2 | discovery | light | null | ok | 0.25748 | 2.05984 | 8 | 1.1557 | 1.9795 | null | 0.9444 | 0.11145 | gaussian_dos_scf_mesh | 0.00283 | null | null |
OSC-01939 | 1CNb2-1 | 1CNb2-1 | CNb2 | discovery | light | null | ok | 0.29285 | 2.3428 | 8 | 1.9609 | 0.2655 | null | 0.7222 | 0.96086 | gaussian_dos_scf_mesh | 0.00718 | null | null |
OSC-01944 | 1CY2-1 | 1CY2-1 | CY2 | discovery | light | null | ok | 0.21707 | 1.73656 | 8 | 1.2924 | 1.5354 | null | 0.5 | 1.44307 | gaussian_dos_scf_mesh | 0 | null | null |
OSC-01954 | 2ClMo-1 | 2ClMo-1 | Cl2Mo2 | discovery | light | null | ok | 0.16652 | 1.33216 | 8 | 3.0182 | 1.6278 | null | 0.6111 | 0.36703 | gaussian_dos_scf_mesh | 0.00262 | null | null |
OSC-01961 | 2ClRu-1 | 2ClRu-1 | Cl2Ru2 | discovery | light | null | ok | 0.18546 | 1.48368 | 8 | 1.4916 | 1.5056 | null | 0.5 | 1.10857 | gaussian_dos_scf_mesh | 0 | null | null |
OSC-01963 | 1TaCl2-1 | 1TaCl2-1 | Cl2Ta | discovery | light | null | ok | 0.35668 | 2.85344 | 8 | 2.1251 | 0.9092 | null | 0.1111 | 0.48823 | gaussian_dos_scf_mesh | 0.04726 | null | null |
OSC-01965 | 2ClW-1 | 2ClW-1 | Cl2W2 | discovery | light | null | ok | 0.20692 | 1.65536 | 8 | 3.4968 | 1.6216 | null | 0.6111 | 0.32208 | gaussian_dos_scf_mesh | 0.00262 | null | null |
OSC-01967 | 2ClZr-2 | 2ClZr-2 | Cl2Zr2 | discovery | light | null | ok | 0.22619 | 1.80952 | 8 | -0.6627 | 1.7148 | null | 0.7222 | 0.57547 | gaussian_dos_scf_mesh | 0.00718 | null | null |
OSC-01971 | 2MoCl2-1 | 2MoCl2-1 | Cl4Mo2 | discovery | light | null | ok | 0.1905 | 1.524 | 8 | 1.4795 | 0.4744 | null | 0.5556 | 0.4335 | gaussian_dos_scf_mesh | 0 | null | null |
OSC-01975 | 2WCl2-1 | 2WCl2-1 | Cl4W2 | discovery | light | null | ok | 0.19969 | 1.59752 | 8 | 2.205 | 0.4266 | null | 0.6111 | 0.3704 | gaussian_dos_scf_mesh | 0.00262 | null | null |
OSC-02008 | 2CuSr-1 | 2CuSr-1 | Cu2Sr2 | discovery | light | null | ok | 0.11274 | 0.90192 | 8 | -0.4947 | 1.5356 | null | 0.5 | 1.22913 | gaussian_dos_scf_mesh | 0 | null | null |
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