▹ 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 |
B4C | ICSD | 612562 | R-3m (166) | ✔ | 15 | 48 | 3 | 0.8525 | 0.871 | 0.000 | (0;000) | ✗ | 27/01/17 |
CuSe2Br | ICSD | 410004 | P2_1/c (14) | ✔ | 16 | 120 | 2 | 0.8528 | 0.925 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaS | ICSD | 43405 | P-62m (189) | ✗ | 12 | 90 | 1 | 0.8537 | 1.655 | 0.000 | (0;000) | ✗ | 29/03/17 |
MoSe2 | ICSD | 16948 | R3m (160) | ✗ | 3 | 26 | 0 | 0.8542 | 1.333 | 0.000 | (0;000) | ✗ | 06/10/16 |
CuP2 | ICSD | 628625 | P2_1/c (14) | ✔ | 12 | 84 | 2 | 0.8546 | 0.855 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiO2 | COD | 9006307 | P1 (1) | ✗ | 12 | 64 | 3 | 0.856 | 0.909 | 0.000 | (0;000) | ✗ | 15/02/17 |
Ba3SrNb2O9 | ICSD | 186191 | P-3m1 (164) | ✔ | 15 | 120 | 3 | 0.8567 | 0.857 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbCl4 | COD | 4343693 | C2/m (12) | ✔ | 10 | 82 | 1 | 0.8567 | 0.889 | 0.000 | (0;000) | ✗ | 02/02/17 |
AgBi(PS3)2 | ICSD | 170639 | P-1 (2) | ✔ | 20 | 144 | 3 | 0.8572 | 1.113 | 0.000 | (0;000) | ✗ | 30/01/17 |
Cd2As3I | COD | 9011252 | C2/c (15) | ✔ | 12 | 92 | 3 | 0.8572 | 1.134 | 0.000 | (0;000) | ✗ | 30/01/17 |
WSe2 | COD | 9012193 | P6_3/mmc (194) | ✔ | 6 | 80 | 2 | 0.8573 | 1.336 | 0.000 | (0;000) | ✗ | 11/04/17 |
NaZnP | ICSD | 61083 | P4/nmm (129) | ✔ | 6 | 52 | 1 | 0.8574 | 0.857 | 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 |
Cs3NiF7 | COD | 1531511 | P4/mbm (127) | ✔ | 22 | 172 | 1 | 0.8589 | 0.870 | 0.000 | (0;000) | ✗ | 07/08/17 |
BiSI | ICSD | 25575 | Pnma (62) | ✔ | 12 | 112 | 1 | 0.8593 | 1.045 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sb2Se3 | COD | 9007437 | Pnma (62) | ✔ | 20 | 112 | 2 | 0.8595 | 0.866 | 0.000 | (0;000) | ✗ | 02/02/17 |
MgF2 | ICSD | 51242 | Cm2m (38) | ✗ | 3 | 24 | 1 | 0.86 | 0.994 | 0.000 | (0;000) | ✗ | 06/10/16 |
TeAuI | COD | 1510182 | P2_1/c (14) | ✔ | 12 | 96 | 2 | 0.8628 | 1.046 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca(ZnP)2 | COD | 7221217 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.8628 | 0.990 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ba4NaAuO8 | COD | 2002622 | I4/mmm (139) | ✔ | 14 | 108 | 1 | 0.863 | 0.981 | 0.000 | (0;000) | ✗ | 30/01/17 |
K2SbAu | ICSD | 380340 | Cmcm (63) | ✔ | 8 | 68 | 1 | 0.863 | 0.965 | 0.000 | (0;000) | ✗ | 02/02/17 |
Zn(InTe2)2 | ICSD | 25650 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.8631 | 0.863 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cs3Sb | ICSD | 53243 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.8638 | 0.999 | 0.000 | (0;000) | ✗ | 27/01/17 |
CuP2 | ICSD | 35282 | P2_1/c (14) | ✔ | 12 | 84 | 2 | 0.8655 | 0.866 | 0.000 | (0;000) | ✗ | 06/10/16 |
NaP | COD | 1528277 | P2_12_12_1 (19) | ✗ | 16 | 112 | 1 | 0.8664 | 0.916 | 0.000 | (0;000) | ✗ | 29/03/17 |
Sr3P4 | ICSD | 38321 | Fdd2 (43) | ✗ | 14 | 100 | 1 | 0.8678 | 1.057 | 0.000 | (0;000) | ✗ | 29/03/17 |
FeCO3 | COD | 9015260 | R-3c (167) | ✔ | 10 | 60 | 3 | 0.8678 | 0.959 | 0.000 | (0;000) | ✗ | 27/01/17 |
CuHgSeCl | COD | 1001109 | Pbam (55) | ✔ | 16 | 144 | 3 | 0.868 | 0.874 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2Ge(TeSe)2 | ICSD | 414165 | P2_1/m (11) | ✔ | 14 | 96 | 1 | 0.8686 | 0.869 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ag2HgI4 | ICSD | 30264 | P-42m (111) | ✗ | 7 | 62 | 3 | 0.8694 | 0.869 | 0.000 | (0;000) | ✗ | 07/10/16 |
LiBC | ICSD | 245288 | P6_3/mmc (194) | ✔ | 6 | 20 | 2 | 0.87 | 1.372 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbCu3Te4 | ICSD | 169544 | P-43m (215) | ✗ | 8 | 70 | 3 | 0.8706 | 1.403 | 0.000 | (0;000) | ✗ | 06/10/16 |
TlSbO3 | ICSD | 77329 | R-3 (148) | ✔ | 10 | 72 | 3 | 0.8714 | 0.960 | 0.000 | (0;000) | ✗ | 29/03/17 |
NaMgSb | COD | 9008323 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 0.8715 | 0.964 | 0.000 | (0;000) | ✗ | 27/01/17 |
InBiS3 | ICSD | 290195 | P2_1 (4) | ✗ | 10 | 72 | 3 | 0.8716 | 1.031 | 0.000 | (0;000) | ✗ | 06/10/16 |
K2BiAu | ICSD | 380341 | Cmcm (63) | ✔ | 8 | 88 | 1 | 0.8724 | 1.008 | 0.000 | (0;000) | ✗ | 30/01/17 |
ScCuS2 | ICSD | 15298 | P3m1 (156) | ✗ | 4 | 34 | 3 | 0.8732 | 1.546 | 0.000 | (0;000) | ✗ | 06/10/16 |
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 |
Ca3AsN | COD | 1005008 | Pnma (62) | ✔ | 20 | 160 | 1 | 0.8756 | 0.876 | 0.000 | (0;000) | ✗ | 21/03/17 |
NaAs | ICSD | 182159 | P2_1/c (14) | ✔ | 16 | 112 | 1 | 0.8758 | 0.946 | 0.000 | (0;000) | ✗ | 30/01/17 |
SnPbS3 | ICSD | 648477 | Pnma (62) | ✔ | 20 | 184 | 2 | 0.876 | 0.925 | 0.000 | (0;000) | ✗ | 02/02/17 |
TaCuN2 | COD | 4030363 | R-3m (166) | ✔ | 4 | 34 | 3 | 0.8763 | 1.447 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cd(RhO2)2 | COD | 4329525 | Fd-3m (227) | ✔ | 14 | 140 | 3 | 0.8771 | 0.883 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ba(PdS2)2 | ICSD | 79930 | P2_1/m (11) | ✔ | 14 | 140 | 3 | 0.8771 | 1.024 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2AsAuS4 | ICSD | 85681 | P2_1/m (11) | ✔ | 16 | 116 | 3 | 0.8772 | 0.877 | 0.000 | (0;000) | ✗ | 30/01/17 |
GaTe | ICSD | 153456 | C2/m (12) | ✔ | 12 | 114 | 3 | 0.8772 | 0.877 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2Ni3S4 | ICSD | 63010 | P6_3/mmc (194) | ✔ | 18 | 144 | 1 | 0.8774 | 0.984 | 0.000 | (0;000) | ✗ | 02/02/17 |