▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▴ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
GaSe | ICSD | 2002 | P6_3mc (186) | ✗ | 16 | 152 | 1 | 0.8502 | 0.851 | 0.000 | (0;000) | ✗ | 22/03/17 |
K2Se3 | ICSD | 1264 | Ccm2_1 (36) | ✗ | 10 | 72 | 1 | 0.7025 | 0.851 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba4Hf3S10 | ICSD | 602359 | I4/mmm (139) | ✔ | 17 | 136 | 2 | 0.4422 | 0.854 | 0.000 | (0;000) | ✗ | 21/03/17 |
NaPt2Se3 | ICSD | 78788 | P6_3mc (186) | ✗ | 24 | 188 | 1 | 0.8222 | 0.854 | 0.000 | (0;000) | ✗ | 04/08/17 |
K2Ni3S4 | COD | 1005023 | Fddd (70) | ✔ | 18 | 144 | 1 | 0.7316 | 0.855 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuP2 | ICSD | 628625 | P2_1/c (14) | ✔ | 12 | 84 | 2 | 0.8546 | 0.855 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr(ZnP)2 | ICSD | 30911 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.8413 | 0.856 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ba3SrNb2O9 | ICSD | 186191 | P-3m1 (164) | ✔ | 15 | 120 | 3 | 0.8567 | 0.857 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrHfN2 | ICSD | 82538 | R-3m (166) | ✔ | 4 | 32 | 2 | 0.3566 | 0.857 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZnP4 | ICSD | 40428 | P4_12_12 (92) | ✗ | 20 | 128 | 3 | 0.6427 | 0.857 | 0.000 | (0;000) | ✗ | 29/03/17 |
K3InP2 | ICSD | 300141 | Ibam (72) | ✔ | 12 | 100 | 1 | 0.8449 | 0.857 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaZnP | ICSD | 61083 | P4/nmm (129) | ✔ | 6 | 52 | 1 | 0.8574 | 0.857 | 0.000 | (0;000) | ✗ | 27/01/17 |
PRuS | ICSD | 648023 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.5007 | 0.858 | 0.000 | (0;000) | ✗ | 27/01/17 |
AgAuCl4 | COD | 7209314 | C2/c (15) | ✔ | 12 | 100 | 2 | 0.8582 | 0.858 | 0.000 | (0;000) | ✗ | 30/01/17 |
CsPt2Se3 | ICSD | 69440 | R-3m (166) | ✔ | 12 | 94 | 2 | 0.8588 | 0.859 | 0.000 | (0;000) | ✗ | 02/02/17 |
K5CuSb2 | ICSD | 32032 | R-3m (166) | ✔ | 8 | 66 | 1 | 0.7123 | 0.859 | 0.000 | (0;000) | ✗ | 02/02/17 |
FeP4 | ICSD | 65415 | C2/c (15) | ✔ | 20 | 112 | 3 | 0.7899 | 0.859 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbBr2O | ICSD | 416669 | C2 (5) | ✗ | 8 | 66 | 2 | 0.7552 | 0.860 | 0.000 | (0;000) | ✗ | 06/10/16 |
KTiPSe5 | ICSD | 81297 | C2/m (12) | ✔ | 16 | 112 | 2 | 0.7848 | 0.860 | 0.000 | (0;000) | ✗ | 02/02/17 |
Nb(SeBr)2 | COD | 4030178 | C2/m (12) | ✔ | 10 | 78 | 2 | 0.7817 | 0.861 | 0.000 | (0;000) | ✗ | 02/02/17 |
FeP2 | ICSD | 15027 | Pmnn (58) | ✔ | 6 | 36 | 3 | 0.4006 | 0.861 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaCuP | ICSD | 49740 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.861 | 0.050 | (0;000) | ✗ | 27/01/17 |
TaI2O | COD | 2004011 | C2/m (12) | ✔ | 8 | 66 | 2 | 0.7657 | 0.861 | 0.000 | (0;000) | ✗ | 02/02/17 |
VAg3O4 | ICSD | 417470 | I-42m (121) | ✗ | 8 | 70 | 3 | 0.5894 | 0.862 | 0.000 | (0;000) | ✗ | 07/10/16 |
Zn(InTe2)2 | ICSD | 25650 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.8631 | 0.863 | 0.000 | (0;000) | ✗ | 06/10/16 |
InAgO2 | COD | 1509396 | P6_3/mmc (194) | ✔ | 8 | 72 | 3 | 0.1911 | 0.864 | 0.000 | (0;000) | ✗ | 05/01/17 |
K2AgBi | ICSD | 1156 | C222_1 (20) | ✗ | 8 | 68 | 1 | 0.6946 | 0.866 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sb2Se3 | COD | 9007437 | Pnma (62) | ✔ | 20 | 112 | 2 | 0.8595 | 0.866 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuP2 | ICSD | 35282 | P2_1/c (14) | ✔ | 12 | 84 | 2 | 0.8655 | 0.866 | 0.000 | (0;000) | ✗ | 06/10/16 |
In2HgS4 | COD | 9012324 | Fd-3m (227) | ✔ | 14 | 124 | 3 | 0.6681 | 0.867 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuHgSeBr | ICSD | 411771 | Pmma (51) | ✔ | 16 | 144 | 3 | 0.8098 | 0.868 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbSnIO6 | ICSD | 73614 | P6_322 (182) | ✗ | 18 | 132 | 2 | 0.7204 | 0.868 | 0.000 | (0;000) | ✗ | 29/03/17 |
Ba2Ge(TeSe)2 | ICSD | 414165 | P2_1/m (11) | ✔ | 14 | 96 | 1 | 0.8686 | 0.869 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2PtC2 | COD | 1526418 | P-3m1 (164) | ✔ | 5 | 36 | 3 | 0.8218 | 0.869 | 0.000 | (0;000) | ✗ | 27/01/17 |
Mg3As2 | COD | 1010124 | Pn-3m (224) | ✔ | 10 | 80 | 3 | 0.7835 | 0.869 | 0.000 | (0;000) | ✗ | 30/01/17 |
Mg3As2 | ICSD | 24485 | Pn-3m (224) | ✔ | 10 | 80 | 3 | 0.7835 | 0.869 | 0.000 | (0;000) | ✗ | 06/10/16 |
AgF | COD | 9008598 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 0.869 | 0.118 | (0;000) | ✗ | 05/01/17 |
Ag2HgI4 | ICSD | 30264 | P-42m (111) | ✗ | 7 | 62 | 3 | 0.8694 | 0.869 | 0.000 | (0;000) | ✗ | 07/10/16 |
Cs3NiF7 | COD | 1531511 | P4/mbm (127) | ✔ | 22 | 172 | 1 | 0.8589 | 0.870 | 0.000 | (0;000) | ✗ | 07/08/17 |
B4C | ICSD | 612562 | R-3m (166) | ✔ | 15 | 48 | 3 | 0.8525 | 0.871 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca(GaP)2 | ICSD | 422525 | P6_3/mmc (194) | ✔ | 10 | 92 | 2 | 0.2119 | 0.872 | 0.000 | (0;000) | ✗ | 02/02/17 |
Te6IrCl3 | ICSD | 423672 | R-3c (167) | ✔ | 20 | 148 | 3 | 0.6694 | 0.873 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuHgSeCl | COD | 1001109 | Pbam (55) | ✔ | 16 | 144 | 3 | 0.868 | 0.874 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca(CdP)2 | COD | 7221218 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.8743 | 0.874 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2Sn2O3 | ICSD | 2216 | R3 (146) | ✗ | 7 | 64 | 2 | 0.8749 | 0.875 | 0.000 | (0;000) | ✗ | 06/10/16 |
RbTe | ICSD | 83350 | Pbam (55) | ✔ | 8 | 60 | 1 | 0.795 | 0.875 | 0.000 | (0;000) | ✗ | 02/02/17 |
Te2Os | COD | 5910143 | Pa3 (205) | ✔ | 12 | 112 | 3 | 0.724 | 0.875 | 0.000 | (0;000) | ✗ | 02/02/17 |
ScRhO3 | ICSD | 237350 | P2_1/m (11) | ✔ | 20 | 184 | 3 | 0.8501 | 0.875 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca3AsN | COD | 1005008 | Pnma (62) | ✔ | 20 | 160 | 1 | 0.8756 | 0.876 | 0.000 | (0;000) | ✗ | 21/03/17 |
CS2 | ICSD | 15672 | Cmce (64) | ✔ | 6 | 32 | 1 | 0.3788 | 0.877 | 0.000 | (0;000) | ✗ | 06/10/16 |