▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
SbSI | ICSD | 85298 | P2_12_12_1 (19) | ✗ | 12 | 72 | 3 | 0.9316 | 1.107 | 0.000 | (0;000) | ✗ | 06/10/16 |
CoH2(CN2)2 | ICSD | 236414 | Pnnm (58) | ✔ | 18 | 94 | 3 | 0.0 | 0.000 | 0.782 | (0;000) | ✗ | 27/01/17 |
FeH2(CN2)2 | ICSD | 419222 | Pnnm (58) | ✔ | 18 | 76 | 3 | 0.5694 | 0.765 | 0.000 | (0;000) | ✗ | 27/01/17 |
TeO2 | ICSD | 166848 | Ccmm (63) | ✔ | 6 | 36 | 3 | 0.0 | 0.511 | 0.006 | (0;000) | ✗ | 06/10/16 |
SbSI | ICSD | 85299 | P2_12_12_1 (19) | ✗ | 12 | 72 | 3 | 0.9264 | 1.109 | 0.000 | (0;000) | ✗ | 06/10/16 |
RbNbO3 | COD | 1528862 | P-1 (2) | ✔ | 20 | 160 | 1 | 3.6791 | 3.683 | 0.000 | (0;000) | ✗ | 02/02/17 |
NiH2(CN2)2 | ICSD | 172908 | Pnnm (58) | ✔ | 18 | 80 | 3 | 0.0 | 0.007 | 0.305 | (0;000) | ✗ | 27/01/17 |
MgH4(CO)2 | COD | 2102790 | C2/m (12) | ✔ | 9 | 34 | 1 | 0.0 | 0.004 | 0.546 | (0;000) | ✗ | 27/01/17 |
SbSI | ICSD | 85300 | P2_12_12_1 (19) | ✗ | 12 | 72 | 3 | 0.9346 | 1.110 | 0.000 | (0;000) | ✗ | 06/10/16 |
NbSe2 | ICSD | 645379 | P6_3/mmc (194) | ✔ | 12 | 100 | 2 | 0.0 | 0.002 | 0.775 | (0;000) | ✗ | 02/02/17 |
H4C2NO2 | ICSD | 172054 | C2/m (12) | ✔ | 18 | 58 | 1 | 2.951 | 2.996 | 0.000 | (0;000) | ✗ | 27/01/17 |
Be(H3C)2 | COD | 5900008 | Ibam (72) | ✔ | 18 | 36 | 1 | 4.8496 | 4.850 | 0.000 | (0;000) | ✗ | 27/01/17 |
CdTe | ICSD | 67862 | P3_121 (152) | ✗ | 6 | 54 | 3 | 0.5051 | 0.741 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZrO2 | ICSD | 164736 | P4_2/nmc (137) | ✔ | 6 | 48 | 3 | 3.9588 | 4.029 | 0.000 | (0;000) | ✗ | 06/10/16 |
Zn(H3C)2 | ICSD | 262113 | P2_1/c (14) | ✔ | 18 | 52 | 2 | 4.5024 | 4.572 | 0.000 | (0;000) | ✗ | 27/01/17 |
HgC2(SN)2 | ICSD | 10304 | C2/m (12) | ✔ | 7 | 42 | 2 | 2.286 | 2.380 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbI2O | ICSD | 36255 | C2 (5) | ✗ | 8 | 66 | 2 | 0.8298 | 0.837 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ni2SbTe2 | COD | 1533053 | P6_3/mmc (194) | ✔ | 10 | 74 | 2 | 0.0 | 0.000 | 0.889 | (0;000) | ✗ | 02/02/17 |
Sc3Si3Ni2 | ICSD | 65760 | Cmcm (63) | ✔ | 16 | 130 | 3 | 0.0 | 0.000 | 0.916 | (0;000) | ✗ | 02/02/17 |
H(CO)2 | ICSD | 151146 | P2_1/m (11) | ✔ | 20 | 84 | 1 | 2.7476 | 2.853 | 0.000 | (0;000) | ✗ | 27/01/17 |
Zr2Ni2Sn | ICSD | 405564 | P4_2/mnm (136) | ✔ | 20 | 168 | 3 | 0.0 | 0.008 | 0.422 | (0;000) | ✗ | 02/02/17 |
K2Mg(CO3)2 | ICSD | 31295 | R-3m (166) | ✔ | 11 | 72 | 1 | 4.2143 | 4.214 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbI3O | ICSD | 418088 | C2 (5) | ✗ | 10 | 80 | 2 | 0.8135 | 0.850 | 0.000 | (0;000) | ✗ | 06/10/16 |
Rb2Ni3Se4 | ICSD | 646312 | Fddd (70) | ✔ | 18 | 144 | 1 | 0.3088 | 0.394 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ni3S4 | COD | 9009863 | Fd-3m (227) | ✔ | 14 | 108 | 3 | 0.0 | 0.198 | 0.596 | (0;000) | ✗ | 02/02/17 |
K2PdC2 | ICSD | 421490 | P-3m1 (164) | ✔ | 5 | 44 | 3 | 1.4251 | 1.457 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2PtC2 | ICSD | 421491 | P-3m1 (164) | ✔ | 5 | 36 | 3 | 0.7799 | 0.813 | 0.000 | (0;000) | ✗ | 27/01/17 |
Nb3TeI7 | ICSD | 86724 | P3m1 (156) | ✗ | 11 | 94 | 2 | 0.4176 | 0.421 | 0.000 | (0;000) | ✔ | 06/10/16 |
Li2TeC2 | COD | 7220792 | P-3m1 (164) | ✔ | 5 | 20 | 1 | 0.0 | 0.036 | 0.234 | (0;000) | ✗ | 27/01/17 |
Li(CO)2 | ICSD | 154354 | C2/m (12) | ✔ | 10 | 46 | 1 | 2.1698 | 2.525 | 0.000 | (0;000) | ✗ | 27/01/17 |
MnCO3 | COD | 1011228 | R-3c (167) | ✔ | 10 | 74 | 3 | 0.0 | 0.000 | 0.716 | (0;000) | ✗ | 27/01/17 |
KClO3 | ICSD | 26409 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 5.6268 | 5.635 | 0.000 | (0;000) | ✗ | 27/01/17 |
N2 | ICSD | 40936 | R-3c (167) | ✔ | 16 | 80 | 1 | 5.8672 | 5.886 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr4Re2NiO12 | ICSD | 16419 | R-3m (166) | ✔ | 19 | 152 | 1 | 0.0 | 0.029 | 0.040 | (0;000) | ✗ | 02/02/17 |
Rb3NiO2 | ICSD | 424579 | P4_2/mnm (136) | ✔ | 12 | 98 | 2 | 0.0 | 0.000 | 0.589 | (0;000) | ✗ | 02/02/17 |
NiSeO3 | ICSD | 190004 | Pnma (62) | ✔ | 20 | 136 | 3 | 0.0 | 0.003 | 0.066 | (0;000) | ✗ | 02/02/17 |
HfNCl | ICSD | 261539 | R-3m (166) | ✔ | 6 | 48 | 2 | 2.0932 | 2.412 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrClF | COD | 9013892 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 5.8674 | 5.867 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ta2NiO6 | COD | 2002356 | P4_2/mnm (136) | ✔ | 18 | 144 | 3 | 0.0 | 0.005 | 0.556 | (0;000) | ✗ | 02/02/17 |
InCu6ClO8 | ICSD | 69612 | Fm-3m (225) | ✔ | 16 | 134 | 3 | 0.0 | 0.007 | 0.411 | (0;000) | ✗ | 27/01/17 |
Zr5NiPb3 | ICSD | 604200 | P6_3/mcm (193) | ✔ | 18 | 144 | 3 | 0.0 | 0.002 | 0.824 | (0;000) | ✗ | 02/02/17 |
TlVO3 | ICSD | 6108 | Pbcm (57) | ✔ | 20 | 176 | 1 | 3.2002 | 3.200 | 0.000 | (0;000) | ✗ | 02/02/17 |
NiP | COD | 9014942 | Pbca (61) | ✔ | 16 | 120 | 3 | 0.0 | 0.061 | 0.180 | (0;000) | ✗ | 02/02/17 |
NiPSe3 | ICSD | 646145 | C2/m (12) | ✔ | 10 | 66 | 2 | 0.0 | 0.021 | 0.226 | (0;000) | ✗ | 02/02/17 |
BN | ICSD | 162883 | P2_1/c (14) | ✔ | 8 | 32 | 2 | 3.1457 | 3.540 | 0.000 | (0;000) | ✗ | 06/10/16 |
RbSb | ICSD | 191491 | F-43m (216) | ✗ | 2 | 14 | 1 | 0.0 | 0.000 | 0.134 | (0;000) | ✔ | 06/10/16 |
P2Os | ICSD | 42609 | Pmnn (58) | ✔ | 6 | 52 | 3 | 0.727 | 1.144 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ni(RhS2)2 | ICSD | 646317 | Fd-3m (227) | ✔ | 14 | 136 | 3 | 0.0 | 0.003 | 0.498 | (0;000) | ✗ | 02/02/17 |
Ta2NiS5 | ICSD | 61147 | Cmcm (63) | ✔ | 16 | 132 | 2 | 0.0 | 0.006 | 0.090 | (0;000) | ✗ | 02/02/17 |
MgC2 | ICSD | 88057 | P4_2/mnm (136) | ✔ | 6 | 36 | 2 | 2.874 | 3.338 | 0.000 | (0;000) | ✗ | 27/01/17 |