▹ Formula | ▹ Source | ▴ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Li2ZrF6 | COD | 1528581 | P-31m (162) | ✔ | 9 | 52 | 1 | 6.6389 | 6.759 | 0.000 | (0;000) | ✗ | 27/01/17 |
SnF4 | COD | 1528582 | I4/mmm (139) | ✔ | 5 | 42 | 2 | 3.52 | 3.723 | 0.000 | (0;000) | ✗ | 27/01/17 |
PbF4 | COD | 1528583 | I4/mmm (139) | ✔ | 5 | 42 | 3 | 2.2131 | 2.413 | 0.000 | (0;000) | ✗ | 27/01/17 |
CdP2 | COD | 1528584 | P4_32_12 (96) | ✗ | 24 | 176 | 3 | 1.1046 | 1.251 | 0.000 | (0;000) | ✗ | 04/08/17 |
Nb5SiSn2 | COD | 1528586 | I4/mcm (140) | ✔ | 16 | 194 | 3 | 0.0 | 0.000 | 0.532 | (1;111) | ✗ | 02/02/17 |
Ca4TiN4 | COD | 1528590 | P-1 (2) | ✔ | 18 | 144 | 1 | 1.5561 | 1.680 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbCrN | COD | 1528599 | P4/nmm (129) | ✔ | 6 | 64 | 3 | 0.0 | 0.010 | 0.490 | (0;001) | ✗ | 27/01/17 |
Ti(PS3)2 | COD | 1528603 | Fdd2 (43) | ✗ | 18 | 116 | 3 | 1.3284 | 1.359 | 0.000 | (0;000) | ✗ | 29/03/17 |
AlBMo | COD | 1528606 | Cmcm (63) | ✔ | 6 | 40 | 3 | 0.0 | 0.020 | 0.209 | (1;110) | ✗ | 05/01/17 |
LiZnN | COD | 1528616 | F-43m (216) | ✗ | 3 | 20 | 3 | 0.6469 | 0.647 | 0.000 | (0;000) | ✗ | 15/02/17 |
CaMoO3 | COD | 1528660 | Pnma (62) | ✔ | 20 | 168 | 3 | 0.0 | 0.016 | 0.488 | (0;000) | ✗ | 02/02/17 |
Sr2Co2O5 | COD | 1528661 | Ima2 (46) | ✗ | 18 | 168 | 3 | 0.0 | 0.001 | 0.488 | ? | ✗ | 22/03/17 |
Li2ZnGe | COD | 1528672 | F-43m (216) | ✗ | 4 | 22 | 3 | 0.0 | 0.419 | 0.069 | (0;000) | ✔ | 15/02/17 |
Nb2O5 | COD | 1528678 | C2/c (15) | ✔ | 14 | 112 | 3 | 2.7685 | 2.894 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaAl2O4 | COD | 1528679 | P2_1/m (11) | ✔ | 14 | 80 | 2 | 5.2476 | 5.251 | 0.000 | (0;000) | ✗ | 05/01/17 |
SrCaSi | COD | 1528697 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.4161 | 0.434 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrCaGe | COD | 1528698 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.414 | 0.433 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrCaSn | COD | 1528699 | Pnma (62) | ✔ | 12 | 136 | 1 | 0.2503 | 0.255 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrCaPb | COD | 1528700 | Pnma (62) | ✔ | 12 | 136 | 1 | 0.1438 | 0.163 | 0.000 | (0;000) | ✗ | 02/02/17 |
VSO5 | COD | 1528702 | P4/n (85) | ✔ | 14 | 98 | 3 | 0.0 | 0.000 | 0.944 | (0;000) | ✗ | 27/01/17 |
Mg2As2O7 | COD | 1528705 | C2/m (12) | ✔ | 11 | 72 | 3 | 3.2513 | 3.251 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ti4O7 | COD | 1528719 | P-1 (2) | ✔ | 22 | 180 | 3 | 0.0 | 0.019 | 0.308 | (0;000) | ✗ | 07/08/17 |
Bi2WO6 | COD | 1528731 | C2/m (12) | ✔ | 18 | 188 | 3 | 1.9362 | 2.313 | 0.000 | (0;000) | ✗ | 11/04/17 |
K2PtF6 | COD | 1528732 | P-3m1 (164) | ✔ | 9 | 70 | 1 | 2.9011 | 2.908 | 0.000 | (0;000) | ✗ | 27/01/17 |
CrReO4 | COD | 1528741 | C2/m (12) | ✔ | 12 | 106 | 3 | 0.0 | 0.026 | 0.770 | (0;111) | ✗ | 22/03/17 |
Cu3Se2 | COD | 1528745 | P-42_1m (113) | ✗ | 10 | 90 | 3 | 0.0 | 0.000 | 0.903 | ? | ✗ | 15/02/17 |
Ni3C | COD | 1528750 | R-3c (167) | ✔ | 8 | 68 | 3 | 0.0 | 0.002 | 0.520 | (0;000) | ✗ | 27/01/17 |
GeSe | COD | 1528768 | Pnma (62) | ✔ | 8 | 40 | 2 | 0.5998 | 0.700 | 0.000 | (0;000) | ✗ | 27/01/17 |
In2Se3 | COD | 1528774 | R-3m (166) | ✔ | 5 | 44 | 1 | 0.0 | 0.008 | 0.378 | (0;111) | ✗ | 27/01/17 |
TiO2 | COD | 1528778 | C2/m (12) | ✔ | 12 | 96 | 3 | 2.9207 | 3.025 | 0.000 | (0;000) | ✗ | 27/01/17 |
Nb5Si3 | COD | 1528784 | I4/mcm (140) | ✔ | 16 | 154 | 3 | 0.0 | 0.000 | 0.607 | (0;111) | ✗ | 02/02/17 |
Hg3(SF)2 | COD | 1528807 | I2_13 (199) | ✗ | 14 | 124 | 3 | 1.9735 | 2.193 | 0.000 | (0;000) | ✗ | 22/03/17 |
NaFeCl4 | COD | 1528827 | P2_12_12_1 (19) | ✗ | 24 | 180 | 1 | 0.0 | 0.000 | 0.328 | ? | ✗ | 04/08/17 |
K3FeO3 | COD | 1528828 | C2/m (12) | ✔ | 14 | 106 | 3 | 0.0 | 0.038 | 0.214 | (0;000) | ✗ | 02/02/17 |
MgMn2O4 | COD | 1528844 | I4_1/amd (141) | ✔ | 14 | 128 | 3 | 0.0 | 0.002 | 0.310 | (1;111) | ✗ | 29/03/17 |
Li6Br3N | COD | 1528848 | Fm-3m (225) | ✔ | 10 | 44 | 1 | 2.9029 | 3.244 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li7IN2 | COD | 1528849 | Fd-3m (227) | ✔ | 20 | 76 | 3 | 0.0 | 0.006 | 0.914 | (0;000) | ✗ | 02/02/17 |
ZrSi | COD | 1528852 | Pnma (62) | ✔ | 8 | 32 | 3 | 0.0 | 0.018 | 0.214 | (1;000) | ✗ | 27/01/17 |
ZrSi2 | COD | 1528853 | Cmcm (63) | ✔ | 6 | 24 | 3 | 0.0 | 0.014 | 0.331 | (1;110) | ✗ | 27/01/17 |
Na3AgO2 | COD | 1528854 | Ibam (72) | ✔ | 12 | 100 | 2 | 1.173 | 1.345 | 0.000 | (0;000) | ✗ | 05/01/17 |
TaNO | COD | 1528855 | C2/m (12) | ✔ | 12 | 96 | 3 | 2.3632 | 2.515 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbNbO3 | COD | 1528862 | P-1 (2) | ✔ | 20 | 160 | 1 | 3.6791 | 3.683 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaNbO3 | COD | 1528864 | Pmc2_1 (26) | ✗ | 20 | 160 | 3 | 2.3551 | 2.359 | 0.000 | (0;000) | ✗ | 29/03/17 |
NaTaO3 | COD | 1528865 | Pnma (62) | ✔ | 20 | 160 | 3 | 2.4049 | 2.405 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li3VO4 | COD | 1528868 | Pmn2_1 (31) | ✗ | 16 | 92 | 1 | 4.0483 | 4.077 | 0.000 | (0;000) | ✗ | 15/02/17 |
TiHgO3 | COD | 1528887 | R-3c (167) | ✔ | 10 | 84 | 3 | 1.4307 | 1.431 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr2PbO4 | COD | 1528937 | Pbam (55) | ✔ | 14 | 116 | 1 | 1.6272 | 1.816 | 0.000 | (0;000) | ✗ | 02/02/17 |
GeF2 | COD | 1528938 | P2_12_12_1 (19) | ✗ | 12 | 72 | 1 | 4.0428 | 4.319 | 0.000 | (0;000) | ✗ | 22/03/17 |
LiSn4Ir | COD | 1529009 | I4/mcm (140) | ✔ | 12 | 152 | 3 | 0.0 | 0.020 | 0.279 | (0;000) | ✗ | 02/02/17 |
Ti6O | COD | 1529015 | P-31c (163) | ✔ | 14 | 156 | 3 | 0.0 | 0.006 | 0.371 | (1;000) | ✗ | 02/02/17 |