Partial DOS at EF and Orbital Character on Fermi Surface
- Atomic structure is from ICSD
- Computed with Quantum ESPRESSO
- Displayed with FermiSurfer
- .frmsf file can be downloaded by clicking each image
- Parallel eyes stereogram
Ag1_Fm-3m_181730 (0.133 [states/eV/u.c./spin])
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| Ag4D (21.955 %) |
Ag5P (64.962 %) |
Ag5S (12.406 %) |
Ag2_P6_3/mmc_56269 (0.285 [states/eV/u.c./spin])
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| Ag4D (20.632 %) |
Ag5P (66.316 %) |
Ag5S (12.702 %) |
Ag4_P6_3/mmc_64707 (0.562 [states/eV/u.c./spin])
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| Ag4D (20.285 %) |
Ag5P (66.370 %) |
Ag5S (12.883 %) |
Al1_Fm-3m_150692 (0.206 [states/eV/u.c./spin])
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| Al3P (61.165 %) |
Al3S (32.670 %) |
Al1_Im-3m_187080 (0.164 [states/eV/u.c./spin])
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| Al3P (64.024 %) |
Al3S (28.598 %) |
Au1_Fm-3m_163723 (0.139 [states/eV/u.c./spin])
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| Au5D (42.086 %) |
Au6P (43.741 %) |
Au6S (14.173 %) |
Ba12_P6_3/mcm_280680 (6.300 [states/eV/u.c./spin])
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| Ba5P (2.238 %) |
Ba5S (1.427 %) |
Ba6P (26.190 %) |
Ba6S (7.222 %) |
Ba1_Cmmm_89237 (1.580 [states/eV/u.c./spin])
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| Ba5P (0.665 %) |
Ba5S (0.279 %) |
Ba6P (47.152 %) |
Ba6S (6.456 %) |
Ba1_Fm-3m_52679 (0.837 [states/eV/u.c./spin])
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| Ba5P (1.050 %) |
Ba5S (0.352 %) |
Ba6P (41.458 %) |
Ba6S (12.784 %) |
Ba1_Im-3m_108091 (0.587 [states/eV/u.c./spin])
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| Ba5P (0.869 %) |
Ba5S (0.151 %) |
Ba6P (47.189 %) |
Ba6S (14.889 %) |
Be1_Im-3m_52708 (0.061 [states/eV/u.c./spin])
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| Be2P (94.300 %) |
Be2S (5.098 %) |
Be2_P6_3/mmc_1425 (0.063 [states/eV/u.c./spin])
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| Be2P (96.661 %) |
Be2S (3.211 %) |
Bi1_R-3m_53796 (0.294 [states/eV/u.c./spin])
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| Bi5D (0.168 %) |
Bi6P (91.497 %) |
Bi6S (6.871 %) |
Bi2_C2/m_653719 (0.510 [states/eV/u.c./spin])
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| Bi5D (0.187 %) |
Bi6P (90.196 %) |
Bi6S (7.843 %) |
Bi2_R-3m_241983 (0.097 [states/eV/u.c./spin])
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| Bi5D (0.166 %) |
Bi6P (84.481 %) |
Bi6S (13.361 %) |
Ca1_Fm-3m_44348 (0.746 [states/eV/u.c./spin])
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| Ca3P (0.014 %) |
Ca3S (0.106 %) |
Ca4S (11.153 %) |
Ca1_Im-3m_44349 (0.995 [states/eV/u.c./spin])
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| Ca3P (0.012 %) |
Ca3S (0.066 %) |
Ca4S (6.533 %) |
Ca2_P6_3/mmc_52270 (1.160 [states/eV/u.c./spin])
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| Ca3P (0.015 %) |
Ca3S (0.116 %) |
Ca4S (12.845 %) |
Cd1_P6/mmm_619639 (0.179 [states/eV/u.c./spin])
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| Cd4D (3.866 %) |
Cd5P (60.335 %) |
Cd5S (35.363 %) |
Cd2_P6_3/mmc_181733 (0.225 [states/eV/u.c./spin])
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| Cd4D (4.044 %) |
Cd5P (73.778 %) |
Cd5S (21.867 %) |
Co1_Fm-3m_196589 (1.230 [states/eV/u.c./spin])
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| Co3D (98.374 %) |
Co3P (0.013 %) |
Co3S (0.007 %) |
Co4S (1.341 %) |
Co2_P6_3/mmc_184251 (3.010 [states/eV/u.c./spin])
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| Co3D (98.339 %) |
Co3P (0.011 %) |
Co3S (0.004 %) |
Co4S (1.150 %) |
Co46_P6_3mc_42684 (83.600 [states/eV/u.c./spin])
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| Co3D (97.608 %) |
Co3P (0.014 %) |
Co3S (0.008 %) |
Co4S (1.555 %) |
Cr1_Im-3m_150832 (0.354 [states/eV/u.c./spin])
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| Cr3D (92.090 %) |
Cr3P (0.096 %) |
Cr3S (0.104 %) |
Cr4S (3.249 %) |
Cr2_P6_3/mmc_151375 (2.860 [states/eV/u.c./spin])
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| Cr3D (93.706 %) |
Cr3P (0.073 %) |
Cr3S (0.078 %) |
Cr4S (4.196 %) |
Cr8_Pm-3n_108326 (2.020 [states/eV/u.c./spin])
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| Cr3D (95.050 %) |
Cr3P (0.109 %) |
Cr3S (0.087 %) |
Cr4S (3.500 %) |
Cs1_Fm-3m_42662 (0.771 [states/eV/u.c./spin])
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| Cs5P (2.737 %) |
Cs5S (0.743 %) |
Cs6S (72.633 %) |
Cs1_Im-3m_196974 (0.712 [states/eV/u.c./spin])
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| Cs5P (0.965 %) |
Cs5S (0.031 %) |
Cs6S (91.152 %) |
Cu1_Fm-3m_242038 (0.171 [states/eV/u.c./spin])
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| Cu3D (38.947 %) |
Cu4P (47.719 %) |
Cu4S (13.392 %) |
Fe1_Fm-3m_44862 (1.100 [states/eV/u.c./spin])
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| Fe3D (97.273 %) |
Fe4P (2.527 %) |
Fe4S (0.271 %) |
Fe1_Im-3m_180969 (1.950 [states/eV/u.c./spin])
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| Fe3D (98.462 %) |
Fe4P (1.036 %) |
Fe4S (0.105 %) |
Ga1_I4/mmm_42663 (0.176 [states/eV/u.c./spin])
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| Ga3D (0.270 %) |
Ga4P (65.909 %) |
Ga4S (32.159 %) |
Ga20_Cmcm_2795 (3.200 [states/eV/u.c./spin])
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| Ga3D (0.260 %) |
Ga4P (75.938 %) |
Ga4S (22.531 %) |
Ga22_R-3m_2513 (4.010 [states/eV/u.c./spin])
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| Ga3D (0.257 %) |
Ga4P (70.574 %) |
Ga4S (27.681 %) |
Ga2_C2/c_23247 (0.337 [states/eV/u.c./spin])
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| Ga3D (0.231 %) |
Ga4P (71.810 %) |
Ga4S (26.766 %) |
Ga4_Cmce_109032 (0.435 [states/eV/u.c./spin])
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| Ga3D (0.292 %) |
Ga4P (81.609 %) |
Ga4S (17.195 %) |
Ge12_P4_32_12_16570 (0.000 [states/eV/u.c./spin])
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| Ge3D (0.000 %) |
Ge4P (0.000 %) |
Ge4S (0.000 %) |
Ge1_Fm-3m_636526 (0.461 [states/eV/u.c./spin])
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| Ge3D (0.002 %) |
Ge4P (95.879 %) |
Ge4S (3.297 %) |
Ge2_Fd-3m_184252 (0.000 [states/eV/u.c./spin])
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| Ge3D (0.000 %) |
Ge4P (46.341 %) |
Ge4S (53.659 %) |
Ge4_P6_3/mmc_636533 (0.007 [states/eV/u.c./spin])
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| Ge3D (0.101 %) |
Ge4P (85.673 %) |
Ge4S (12.967 %) |
Ge8_Ia-3_173890 (0.493 [states/eV/u.c./spin])
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| Ge3D (0.065 %) |
Ge4P (74.239 %) |
Ge4S (23.935 %) |
Ge8_P6_3/mmc_167204 (0.002 [states/eV/u.c./spin])
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| Ge3D (0.103 %) |
Ge4P (79.381 %) |
Ge4S (19.588 %) |
Hf1_Im-3m_104208 (1.020 [states/eV/u.c./spin])
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| Hf5D (78.627 %) |
Hf5P (1.167 %) |
Hf5S (0.138 %) |
Hf6P (19.216 %) |
Hf6S (0.451 %) |
Hf2_P6_3/mmc_53022 (0.680 [states/eV/u.c./spin])
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| Hf5D (79.706 %) |
Hf5P (1.191 %) |
Hf5S (0.098 %) |
Hf6P (17.647 %) |
Hf6S (0.941 %) |
Hg1_C2/m_79804 (0.254 [states/eV/u.c./spin])
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| Hg5D (2.177 %) |
Hg6P (77.165 %) |
Hg6S (17.874 %) |
Hg1_I4/mmm_43558 (0.141 [states/eV/u.c./spin])
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| Hg5D (6.135 %) |
Hg6P (53.688 %) |
Hg6S (39.716 %) |
Hg1_R-3m_104296 (0.151 [states/eV/u.c./spin])
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| Hg5D (5.371 %) |
Hg6P (54.901 %) |
Hg6S (39.338 %) |
Hg3_P6/mmm_25364 (0.433 [states/eV/u.c./spin])
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| Hg5D (6.028 %) |
Hg6P (61.894 %) |
Hg6S (31.409 %) |
In1_I4/mmm_171679 (0.206 [states/eV/u.c./spin])
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| In4D (0.699 %) |
In5P (65.049 %) |
In5S (32.427 %) |
In1_I4/mmm_639816 (0.457 [states/eV/u.c./spin])
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| In4D (0.080 %) |
In5P (87.527 %) |
In5S (11.707 %) |
Ir1_Fm-3m_53813 (0.434 [states/eV/u.c./spin])
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| Ir5D (95.161 %) |
Ir6P (4.078 %) |
Ir6S (0.438 %) |
K1_Im-3m_196973 (0.381 [states/eV/u.c./spin])
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| K3P (0.520 %) |
K3S (0.089 %) |
K4S (89.501 %) |
Li1_Fm-3m_76948 (0.266 [states/eV/u.c./spin])
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| Li1S (0.320 %) |
Li2S (60.526 %) |
Li1_Im-3m_104737 (0.241 [states/eV/u.c./spin])
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| Li1S (0.386 %) |
Li2S (68.880 %) |
Li2_P6_3/mmc_44760 (0.520 [states/eV/u.c./spin])
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| Li1S (0.454 %) |
Li2S (66.538 %) |
Li3_R-3m_642105 (0.779 [states/eV/u.c./spin])
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| Li1S (0.443 %) |
Li2S (65.597 %) |
Mg2_P6_3/mmc_166868 (0.435 [states/eV/u.c./spin])
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| Mg3P (65.747 %) |
Mg3S (32.184 %) |
Mn1_Im-3m_5248 (1.820 [states/eV/u.c./spin])
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| Mn3D (98.901 %) |
Mn3P (0.008 %) |
Mn3S (0.010 %) |
Mn4S (0.486 %) |
Mn20_P4_132_163411 (24.100 [states/eV/u.c./spin])
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| Mn3D (95.851 %) |
Mn3P (0.026 %) |
Mn3S (0.036 %) |
Mn4S (2.320 %) |
Mn29_I-43m_164349 (19.800 [states/eV/u.c./spin])
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| Mn3D (97.475 %) |
Mn3P (0.022 %) |
Mn3S (0.022 %) |
Mn4S (1.611 %) |
Mo1_Im-3m_173127 (0.294 [states/eV/u.c./spin])
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| Mo4D (85.374 %) |
Mo4P (0.963 %) |
Mo4S (0.210 %) |
Mo5P (12.211 %) |
Mo5S (0.759 %) |
Na1_Im-3m_196972 (0.237 [states/eV/u.c./spin])
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| Na2P (2.008 %) |
Na2S (1.962 %) |
Na3P (72.152 %) |
Na3S (23.249 %) |
Na2_P6_3/mmc_44758 (0.473 [states/eV/u.c./spin])
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| Na2P (2.199 %) |
Na2S (1.937 %) |
Na3P (71.882 %) |
Na3S (22.833 %) |
Na3_R-3m_644902 (0.708 [states/eV/u.c./spin])
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| Na2P (2.203 %) |
Na2S (1.949 %) |
Na3P (72.034 %) |
Na3S (22.881 %) |
Nb1_Im-3m_151406 (0.725 [states/eV/u.c./spin])
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| Nb4D (86.345 %) |
Nb4P (1.407 %) |
Nb4S (0.058 %) |
Nb5S (9.517 %) |
Ni1_Fm-3m_163354 (2.700 [states/eV/u.c./spin])
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| Ni3D (99.259 %) |
Ni4P (0.815 %) |
Ni4S (0.111 %) |
Ni2_P6_3/mmc_76668 (7.330 [states/eV/u.c./spin])
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| Ni3D (99.045 %) |
Ni4P (0.764 %) |
Ni4S (0.157 %) |
Os2_P6_3/mmc_40323 (0.587 [states/eV/u.c./spin])
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| Os5D (93.356 %) |
Os6P (5.826 %) |
Os6S (0.603 %) |
Pb1_Fm-3m_105588 (0.251 [states/eV/u.c./spin])
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| Pb5D (0.590 %) |
Pb6P (85.259 %) |
Pb6S (11.673 %) |
Pb2_P6_3/mmc_648350 (0.513 [states/eV/u.c./spin])
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| Pb5D (0.639 %) |
Pb6P (85.770 %) |
Pb6S (11.423 %) |
Pd1_Fm-3m_52251 (1.280 [states/eV/u.c./spin])
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| Pd4D (97.656 %) |
Pd5P (1.758 %) |
Pd5S (0.466 %) |
Po1_Pm-3m_43211 (0.302 [states/eV/u.c./spin])
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| Po5D (0.075 %) |
Po6P (96.358 %) |
Po6S (2.556 %) |
Po1_R-3m_43212 (0.315 [states/eV/u.c./spin])
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| Po5D (0.074 %) |
Po6P (95.556 %) |
Po6S (2.305 %) |
Po6_C2_31684 (2.040 [states/eV/u.c./spin])
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| Po5D (0.054 %) |
Po6P (95.098 %) |
Po6S (1.775 %) |
Pt1_Fm-3m_180980 (1.090 [states/eV/u.c./spin])
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| Pt5D (98.165 %) |
Pt6P (1.587 %) |
Pt6S (0.372 %) |
Rb1_Im-3m_44755 (0.445 [states/eV/u.c./spin])
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| Rb4P (1.917 %) |
Rb4S (0.528 %) |
Rb5P (53.708 %) |
Rb5S (41.348 %) |
Rb4_Fddd_248068 (1.870 [states/eV/u.c./spin])
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| Rb4P (2.048 %) |
Rb4S (1.845 %) |
Rb5P (66.845 %) |
Rb5S (19.626 %) |
Re2_P6_3/mmc_109248 (0.763 [states/eV/u.c./spin])
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| Re5D (84.928 %) |
Re5P (0.626 %) |
Re5S (0.122 %) |
Re6P (13.106 %) |
Re6S (0.839 %) |
Rh1_Fm-3m_171677 (0.483 [states/eV/u.c./spin])
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| Rh4D (94.824 %) |
Rh4P (0.207 %) |
Rh4S (0.185 %) |
Rh5P (4.079 %) |
Rh5S (0.542 %) |
Ru2_P6_3/mmc_40354 (0.645 [states/eV/u.c./spin])
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| Ru4D (70.698 %) |
Ru4P (11.256 %) |
Ru4S (0.152 %) |
Ru5P (9.364 %) |
Ru5S (2.496 %) |
Sb1_Fm-3m_52198 (0.320 [states/eV/u.c./spin])
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| Sb4D (0.104 %) |
Sb5P (87.188 %) |
Sb5S (7.156 %) |
Sb1_I4/mmm_52199 (0.293 [states/eV/u.c./spin])
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| Sb4D (0.143 %) |
Sb5P (84.983 %) |
Sb5S (8.601 %) |
Sb1_Im-3m_108182 (0.241 [states/eV/u.c./spin])
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| Sb4D (0.212 %) |
Sb5P (83.402 %) |
Sb5S (10.996 %) |
Sb1_Pm-3m_651499 (0.274 [states/eV/u.c./spin])
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| Sb4D (0.109 %) |
Sb5P (86.861 %) |
Sb5S (10.547 %) |
Sb2_P6_3/mmc_52226 (0.665 [states/eV/u.c./spin])
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| Sb4D (0.101 %) |
Sb5P (88.120 %) |
Sb5S (6.707 %) |
Sb2_R-3m_161493 (0.046 [states/eV/u.c./spin])
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| Sb4D (0.100 %) |
Sb5P (75.054 %) |
Sb5S (21.518 %) |
Sc1_Fm-3m_164096 (0.480 [states/eV/u.c./spin])
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| Sc3D (92.917 %) |
Sc3P (2.006 %) |
Sc3S (0.124 %) |
Sc4S (2.729 %) |
Sc2_P6_3/mmc_102654 (2.140 [states/eV/u.c./spin])
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| Sc3D (85.047 %) |
Sc3P (0.332 %) |
Sc3S (0.078 %) |
Sc4S (3.065 %) |
Sn2_Fd-3m_40039 (0.038 [states/eV/u.c./spin])
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| Sn4D (0.008 %) |
Sn5P (81.600 %) |
Sn5S (17.547 %) |
Sn2_I4_1samd_106071 (0.462 [states/eV/u.c./spin])
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| Sn4D (0.007 %) |
Sn5P (82.251 %) |
Sn5S (16.017 %) |
Sr1_Fm-3m_44721 (1.440 [states/eV/u.c./spin])
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| Sr4P (1.771 %) |
Sr4S (0.052 %) |
Sr5P (84.722 %) |
Sr5S (1.590 %) |
Sr1_Im-3m_44723 (0.535 [states/eV/u.c./spin])
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| Sr4P (0.277 %) |
Sr4S (0.139 %) |
Sr5P (50.280 %) |
Sr5S (4.598 %) |
Sr1_P6/mmm_79592 (0.666 [states/eV/u.c./spin])
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| Sr4P (0.318 %) |
Sr4S (0.572 %) |
Sr5P (34.084 %) |
Sr5S (11.111 %) |
Sr2_P6_3/mmc_44722 (1.160 [states/eV/u.c./spin])
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| Sr4P (1.026 %) |
Sr4S (0.075 %) |
Sr5P (72.759 %) |
Sr5S (6.207 %) |
Ta1_Im-3m_151407 (0.636 [states/eV/u.c./spin])
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 |
| Ta5D (79.088 %) |
Ta5P (1.410 %) |
Ta5S (0.263 %) |
Ta6P (17.925 %) |
Ta6S (0.969 %) |
Ta22_P-4_54203 (21.700 [states/eV/u.c./spin])
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 |
| Ta5D (82.488 %) |
Ta5P (0.903 %) |
Ta5S (0.114 %) |
Ta6P (14.378 %) |
Ta6S (1.954 %) |
Ta30_P-42_1m_250214 (16.600 [states/eV/u.c./spin])
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 |
| Ta5D (76.506 %) |
Ta5P (1.705 %) |
Ta5S (0.149 %) |
Ta6P (20.000 %) |
Ta6S (1.494 %) |
Ta4_P4/mbm_54207 (1.080 [states/eV/u.c./spin])
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| Ta5D (40.370 %) |
Ta5P (5.741 %) |
Ta5S (0.800 %) |
Ta6P (44.815 %) |
Ta6S (6.481 %) |
Tc2_P6_3/mmc_52498 (0.928 [states/eV/u.c./spin])
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| Tc4D (86.422 %) |
Tc4P (0.731 %) |
Tc4S (0.269 %) |
Tc5P (11.422 %) |
Tc5S (0.793 %) |
Ti1_Im-3m_151409 (1.200 [states/eV/u.c./spin])
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 |
| Ti3D (83.000 %) |
Ti3P (0.751 %) |
Ti3S (0.252 %) |
Ti4P (15.833 %) |
Ti4S (0.273 %) |
Ti2_P6_3/mmc_191187 (0.891 [states/eV/u.c./spin])
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 |
| Ti3D (84.400 %) |
Ti3P (0.649 %) |
Ti3S (0.157 %) |
Ti4P (13.917 %) |
Ti4S (0.501 %) |
Ti3_P6/mmm_653277 (1.060 [states/eV/u.c./spin])
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 |
| Ti3D (84.057 %) |
Ti3P (0.744 %) |
Ti3S (0.199 %) |
Ti4P (13.491 %) |
Ti4S (1.406 %) |
Tl1_I4/mmm_53778 (0.285 [states/eV/u.c./spin])
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 |
 |
| Tl5D (0.954 %) |
Tl6P (78.947 %) |
Tl6S (19.298 %) |
Tl1_Im-3m_150816 (0.227 [states/eV/u.c./spin])
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 |
| Tl5D (1.044 %) |
Tl6P (74.890 %) |
Tl6S (22.687 %) |
Tl2_P6_3/mmc_104200 (0.411 [states/eV/u.c./spin])
 |
 |
 |
| Tl5D (1.066 %) |
Tl6P (73.966 %) |
Tl6S (23.844 %) |
V1_Im-3m_151408 (0.925 [states/eV/u.c./spin])
 |
 |
 |
 |
| V3D (87.784 %) |
V3P (0.212 %) |
V3S (0.080 %) |
V4S (7.157 %) |
W1_Im-3m_242037 (0.218 [states/eV/u.c./spin])
 |
 |
 |
 |
 |
| W5D (82.110 %) |
W5P (1.096 %) |
W5S (0.087 %) |
W6P (14.083 %) |
W6S (1.844 %) |
Y1_Fm-3m_106221 (1.520 [states/eV/u.c./spin])
 |
 |
 |
 |
 |
| Y4D (68.421 %) |
Y4P (0.737 %) |
Y4S (0.018 %) |
Y5P (29.803 %) |
Y5S (0.711 %) |
Y2_P6_3/mmc_196971 (1.890 [states/eV/u.c./spin])
 |
 |
 |
 |
 |
| Y4D (77.778 %) |
Y4P (1.683 %) |
Y4S (0.129 %) |
Y5P (19.365 %) |
Y5S (0.788 %) |
Zn2_P6_3/mmc_181734 (0.205 [states/eV/u.c./spin])
 |
 |
 |
| Zn3D (4.000 %) |
Zn4P (73.659 %) |
Zn4S (21.463 %) |
Zr1_Im-3m_169452 (0.954 [states/eV/u.c./spin])
 |
 |
 |
 |
 |
| Zr4D (80.084 %) |
Zr4P (1.279 %) |
Zr4S (0.283 %) |
Zr5P (17.505 %) |
Zr5S (0.591 %) |
Zr2_P6_3/mmc_164572 (0.946 [states/eV/u.c./spin])
 |
 |
 |
 |
 |
| Zr4D (82.875 %) |
Zr4P (1.173 %) |
Zr4S (0.216 %) |
Zr5P (14.799 %) |
Zr5S (0.611 %) |