▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sr2CuBrO2 | COD | 2002429 | R-3m (166) | ✔ | 6 | 50 | 1 | 2.4164 | 2.627 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiNCl | ICSD | 261525 | Pmmn (59) | ✔ | 6 | 48 | 2 | 0.6554 | 0.655 | 0.000 | (0;000) | ✗ | 27/01/17 |
PbBrF | COD | 9009175 | P4/nmm (129) | ✔ | 6 | 56 | 2 | 2.2754 | 2.275 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrBrF | ICSD | 35392 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 5.0428 | 5.043 | 0.000 | (0;000) | ✗ | 27/01/17 |
HfBrN | COD | 1532008 | Pmmn (59) | ✔ | 6 | 48 | 2 | 2.226 | 2.226 | 0.000 | (0;000) | ✗ | 27/01/17 |
HfBrN | ICSD | 190383 | R-3m (166) | ✔ | 6 | 48 | 2 | 1.8563 | 2.445 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ga2Os | COD | 1522721 | Fddd (70) | ✔ | 6 | 84 | 3 | 0.5627 | 0.794 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrHBr | COD | 9009182 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 3.9561 | 3.979 | 0.000 | (0;000) | ✗ | 27/01/17 |
NiS2 | ICSD | 169570 | Pmnn (58) | ✔ | 6 | 44 | 3 | 0.0 | 0.038 | 0.596 | (1;000) | ✗ | 06/10/16 |
InBrO | ICSD | 24059 | Pmmn (59) | ✔ | 6 | 52 | 2 | 2.2656 | 2.325 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScCuSn | ICSD | 629024 | P6_3/mmc (194) | ✔ | 6 | 72 | 3 | 0.0 | 0.011 | 0.350 | (1;000) | ✗ | 27/01/17 |
SrCuP | ICSD | 53323 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.540 | 0.110 | (0;000) | ✗ | 27/01/17 |
MoO2 | ICSD | 99714 | P4_2/mnm (136) | ✔ | 6 | 52 | 3 | 0.0 | 0.007 | 0.254 | (0;000) | ✗ | 27/01/17 |
MoO2 | COD | 9009090 | Pnnm (58) | ✔ | 6 | 52 | 3 | 0.0 | 0.009 | 0.278 | (0;000) | ✗ | 27/01/17 |
SrHgPb | ICSD | 602710 | P6_3mc (186) | ✗ | 6 | 72 | 3 | 0.0 | 0.004 | 0.416 | ? | ✗ | 06/10/16 |
Li4NCl | ICSD | 84649 | R-3m (166) | ✔ | 6 | 24 | 1 | 1.8222 | 1.875 | 0.000 | (0;000) | ✗ | 27/01/17 |
NiSb2 | ICSD | 41728 | Pmnn (58) | ✔ | 6 | 40 | 3 | 0.0 | 0.107 | 0.514 | (1;000) | ✗ | 06/10/16 |
Co | ICSD | 27504 | Fd-3m (227) | ✔ | 6 | 102 | 3 | 0.0 | 0.000 | 0.681 | (0;000) | ✗ | 27/01/17 |
SrCuSb | ICSD | 53339 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.386 | 0.132 | (0;000) | ✗ | 27/01/17 |
TiBrN | ICSD | 27395 | Pmmn (59) | ✔ | 6 | 48 | 2 | 0.1946 | 0.195 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrBrN | ICSD | 27393 | Pmmn (59) | ✔ | 6 | 32 | 2 | 1.224 | 1.224 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrBrN | ICSD | 51771 | R-3m (166) | ✔ | 6 | 32 | 2 | 1.2522 | 1.887 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiClO | ICSD | 155833 | Pmmn (59) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.885 | (0;001) | ✗ | 27/01/17 |
ScBrO | COD | 2206575 | Pmmn (59) | ✔ | 6 | 48 | 2 | 3.3438 | 3.344 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiBrO | COD | 1523160 | Pmmn (59) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.900 | (0;001) | ✗ | 27/01/17 |
Zr2Cu | COD | 4310034 | C2/m (12) | ✔ | 6 | 38 | 0 | 0.0 | 0.006 | 0.668 | (0;000) | ✗ | 27/01/17 |
MnCoSi | ICSD | 53006 | P6_3/mmc (194) | ✔ | 6 | 72 | 3 | 0.0 | 0.006 | 0.761 | (0;000) | ✗ | 27/01/17 |
VBrO | ICSD | 27010 | Pmmn (59) | ✔ | 6 | 52 | 2 | 0.0 | 0.005 | 0.462 | (0;001) | ✗ | 27/01/17 |
YCoC | ICSD | 61684 | P4_2/mmc (131) | ✔ | 6 | 64 | 3 | 0.0 | 0.000 | 0.622 | (1;000) | ✗ | 27/01/17 |
MnF2 | COD | 9009076 | P4_2/mnm (136) | ✔ | 6 | 58 | 3 | 0.0 | 0.000 | 0.647 | (0;000) | ✗ | 27/01/17 |
SiNi2 | ICSD | 105342 | P6_3/mmc (194) | ✔ | 6 | 48 | 3 | 0.0 | 0.004 | 0.711 | (0;000) | ✗ | 06/10/16 |
YSiCu | ICSD | 30772 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.007 | 0.344 | (0;000) | ✗ | 27/01/17 |
Ta2B | COD | 1511330 | I4/mcm (140) | ✔ | 6 | 58 | 3 | 0.0 | 0.000 | 0.603 | (0;111) | ✗ | 27/01/17 |
ScGa2 | COD | 1523235 | Imma (74) | ✔ | 6 | 74 | 3 | 0.0 | 0.001 | 0.639 | (1;101) | ✗ | 27/01/17 |
MoS2 | ICSD | 644259 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.8813 | 1.652 | 0.000 | (0;000) | ✗ | 27/01/17 |
MoS2 | COD | 9007660 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.7111 | 1.549 | 0.000 | (0;000) | ✗ | 27/01/17 |
MoSe2 | ICSD | 49800 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.8058 | 1.388 | 0.000 | (0;000) | ✗ | 27/01/17 |
MoSe2 | ICSD | 644346 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.8472 | 1.396 | 0.000 | (0;000) | ✗ | 27/01/17 |
YCuSn | ICSD | 629300 | P6_3/mmc (194) | ✔ | 6 | 72 | 3 | 0.0 | 0.003 | 0.348 | (1;000) | ✗ | 27/01/17 |
Te2Mo | COD | 9009147 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.6746 | 0.974 | 0.000 | (0;000) | ✗ | 27/01/17 |
YOF | COD | 2106385 | R-3m (166) | ✔ | 6 | 48 | 3 | 4.9065 | 4.907 | 0.000 | (0;000) | ✗ | 27/01/17 |
YClO | COD | 9009190 | P4/nmm (129) | ✔ | 6 | 48 | 3 | 4.19 | 4.190 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeF2 | COD | 9009074 | P4_2/mnm (136) | ✔ | 6 | 44 | 3 | 0.0 | 0.004 | 0.260 | (0;000) | ✗ | 27/01/17 |
VClO | COD | 2106692 | Pmmn (59) | ✔ | 6 | 52 | 2 | 0.0 | 0.002 | 0.323 | (1;001) | ✗ | 27/01/17 |
CaC2 | ICSD | 54185 | C2/m (12) | ✔ | 6 | 36 | 1 | 1.2582 | 1.961 | 0.000 | (0;000) | ✗ | 27/01/17 |
YOF | ICSD | 76426 | P4/nmm (129) | ✔ | 6 | 48 | 3 | 2.122 | 2.228 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrGa2 | COD | 1522709 | Cmmm (65) | ✔ | 6 | 60 | 3 | 0.0 | 0.017 | 0.480 | (1;110) | ✗ | 27/01/17 |
PtO2 | ICSD | 202407 | Pmnn (58) | ✔ | 6 | 44 | 3 | 0.4791 | 0.746 | 0.000 | (0;000) | ✗ | 06/10/16 |
RuO2 | ICSD | 290495 | Pmnn (58) | ✔ | 6 | 56 | 3 | 0.0 | 0.041 | 0.284 | (0;000) | ✗ | 06/10/16 |
SnO2 | ICSD | 157449 | Pmnn (58) | ✔ | 6 | 52 | 3 | 1.3036 | 1.304 | 0.000 | (0;000) | ✗ | 06/10/16 |