▹ Formula | ▹ Source | ▴ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
YNbO4 | COD | 9011436 | C2/c (15) | ✔ | 12 | 96 | 3 | 3.6266 | 3.747 | 0.000 | (0;000) | ✗ | 27/01/17 |
Mg3(BO3)2 | COD | 9011448 | Pnnm (58) | ✔ | 22 | 144 | 3 | 5.4059 | 5.724 | 0.000 | (0;000) | ✗ | 04/08/17 |
Mn3(BO3)2 | COD | 9011449 | Pnnm (58) | ✔ | 22 | 174 | 3 | 0.0 | 0.000 | 0.907 | (1;000) | ✗ | 07/08/17 |
Co3(BO3)2 | COD | 9011450 | Pnnm (58) | ✔ | 22 | 186 | 3 | 0.0 | 0.000 | 0.869 | (1;000) | ✗ | 07/08/17 |
Ni3(BO3)2 | COD | 9011451 | Pnnm (58) | ✔ | 22 | 144 | 3 | 0.0 | 0.005 | 0.412 | (1;000) | ✗ | 04/08/17 |
Te2Au | COD | 9011456 | Pc (7) | ✗ | 12 | 92 | 3 | 0.0 | 0.134 | 0.109 | (0;000) | ✔ | 26/04/17 |
BaMg(CO3)2 | COD | 9011458 | R-3m (166) | ✔ | 10 | 64 | 2 | 4.0954 | 4.178 | 0.000 | (0;000) | ✗ | 27/01/17 |
As2Se3 | COD | 9011471 | P2_1/c (14) | ✔ | 20 | 112 | 2 | 1.2699 | 1.470 | 0.000 | (0;000) | ✗ | 30/01/17 |
ZnBr2 | COD | 9011540 | R-3m (166) | ✔ | 3 | 26 | 2 | 2.4418 | 2.445 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cr | COD | 9011574 | P6_3/mmc (194) | ✔ | 2 | 28 | 3 | 0.0 | 0.007 | 0.454 | (0;000) | ✗ | 27/01/17 |
C | COD | 9011577 | P6_3/mmc (194) | ✔ | 4 | 16 | 2 | 0.0 | 0.000 | 0.060 | (0;000) | ✗ | 27/01/17 |
Ti | COD | 9011600 | P6/mmm (191) | ✔ | 2 | 24 | 3 | 0.0 | 0.015 | 0.398 | (1;001) | ✗ | 27/01/17 |
Co | COD | 9011615 | P6_3/mmc (194) | ✔ | 2 | 34 | 3 | 0.0 | 0.000 | 0.926 | (0;000) | ✗ | 27/01/17 |
S | COD | 9011640 | R-3m (166) | ✔ | 1 | 6 | 3 | 0.0 | 0.000 | 0.717 | (1;000) | ✗ | 27/01/17 |
Cs | COD | 9011642 | Cmce (64) | ✔ | 8 | 72 | 3 | 0.0 | 0.010 | 0.573 | (1;110) | ✗ | 02/02/17 |
Si | COD | 9011644 | Cmce (64) | ✔ | 8 | 32 | 3 | 0.0 | 0.010 | 0.416 | (1;000) | ✗ | 27/01/17 |
Se | COD | 9011650 | P3_121 (152) | ✗ | 3 | 18 | 1 | 0.0 | 0.329 | 0.025 | (0;000) | ✔ | 15/02/17 |
Sc | COD | 9011655 | P4/nmm (129) | ✔ | 4 | 44 | 3 | 0.0 | 0.003 | 0.368 | (1;000) | ✗ | 27/01/17 |
Si | COD | 9011656 | Imma (74) | ✔ | 2 | 8 | 3 | 0.0 | 0.018 | 0.449 | (1;000) | ✗ | 27/01/17 |
SiC | COD | 9011661 | P6_3mc (186) | ✗ | 4 | 16 | 3 | 2.2495 | 3.971 | 0.000 | (0;000) | ✗ | 15/02/17 |
AgCl | COD | 9011666 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.8363 | 2.918 | 0.000 | (0;000) | ✗ | 05/01/17 |
AgCl | COD | 9011674 | P2_1/m (11) | ✔ | 4 | 36 | 3 | 0.6411 | 2.372 | 0.000 | (0;000) | ✗ | 05/01/17 |
AgCl | COD | 9011680 | Cmcm (63) | ✔ | 4 | 36 | 3 | 0.6339 | 1.812 | 0.000 | (0;000) | ✗ | 05/01/17 |
AgBr | COD | 9011682 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.5659 | 2.359 | 0.000 | (0;000) | ✗ | 05/01/17 |
AgBr | COD | 9011692 | P2_1/m (11) | ✔ | 4 | 36 | 3 | 0.178 | 1.794 | 0.000 | (0;000) | ✗ | 05/01/17 |
AgI | COD | 9011694 | P6mm (183) | ✗ | 2 | 18 | 1 | 0.0 | 0.240 | 0.249 | (0;000) | ✔ | 15/02/17 |
AgI | COD | 9011695 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.287 | 2.140 | 0.000 | (0;000) | ✗ | 16/03/17 |
Sr | COD | 9011726 | I4_1/amd (141) | ✔ | 2 | 20 | 1 | 0.0 | 0.003 | 0.174 | (1;111) | ✗ | 27/01/17 |
VBiO4 | COD | 9011741 | I4_1/amd (141) | ✔ | 12 | 104 | 3 | 2.5386 | 2.543 | 0.000 | (0;000) | ✗ | 05/01/17 |
FeS | COD | 9011800 | P4/nmm (129) | ✔ | 4 | 28 | 2 | 0.0 | 0.026 | 0.459 | (0;000) | ✗ | 27/01/17 |
Ni3P | COD | 9011823 | I-4 (82) | ✗ | 16 | 140 | 3 | 0.0 | 0.015 | 0.807 | ? | ✗ | 15/02/17 |
MnCuO2 | COD | 9011834 | C2/m (12) | ✔ | 4 | 38 | 3 | 0.0 | 0.040 | 0.274 | (0;000) | ✗ | 27/01/17 |
Bi4Se3 | COD | 9011943 | R-3m (166) | ✔ | 7 | 78 | 2 | 0.0 | 0.084 | 0.168 | (0;111) | ✗ | 02/02/17 |
Bi2Te3 | COD | 9011962 | R-3m (166) | ✔ | 5 | 48 | 2 | 0.1253 | 0.128 | 0.000 | (1;000) | ✗ | 05/01/17 |
Bi2Se3 | COD | 9011965 | R-3m (166) | ✔ | 5 | 48 | 2 | 0.2711 | 0.347 | 0.000 | (1;000) | ✗ | 05/01/17 |
Nb3NiS6 | COD | 9011967 | P6_322 (182) | ✗ | 20 | 170 | 3 | 0.0 | 0.000 | 0.815 | ? | ✗ | 29/03/17 |
Nb3FeS6 | COD | 9011969 | P6_322 (182) | ✗ | 20 | 166 | 3 | 0.0 | 0.000 | 0.772 | ? | ✗ | 22/03/17 |
TlFeS2 | COD | 9011992 | C2/m (12) | ✔ | 8 | 66 | 2 | 0.0 | 0.017 | 0.290 | (0;000) | ✗ | 27/01/17 |
FeCl3 | COD | 9012000 | R-3 (148) | ✔ | 8 | 58 | 2 | 0.0 | 0.009 | 0.517 | (0;000) | ✗ | 27/01/17 |
Pb | COD | 9012004 | Fm-3m (225) | ✔ | 1 | 14 | 3 | 0.0 | 1.012 | 0.559 | (0;000) | ✗ | 27/01/17 |
Sn | COD | 9012005 | Fm-3m (225) | ✔ | 1 | 14 | 1 | 0.0 | 0.262 | 0.540 | (0;000) | ✗ | 27/01/17 |
Bi | COD | 9012006 | P6_3/mmc (194) | ✔ | 2 | 30 | 1 | 0.0 | 0.000 | 0.565 | (1;000) | ✗ | 05/01/17 |
Be | COD | 9012017 | P6_3/mmc (194) | ✔ | 2 | 8 | 1 | 0.0 | 0.001 | 0.153 | (1;000) | ✗ | 05/01/17 |
Be | COD | 9012040 | P6_3/mmc (194) | ✔ | 2 | 8 | 1 | 0.0 | 0.001 | 0.353 | (1;000) | ✗ | 05/01/17 |
Mn(CrS2)2 | COD | 9012044 | Fd-3m (227) | ✔ | 14 | 134 | 3 | 0.0 | 0.000 | 0.808 | (0;000) | ✗ | 02/02/17 |
Cr2CoS4 | COD | 9012046 | Fd-3m (227) | ✔ | 14 | 138 | 3 | 0.0 | 0.001 | 0.420 | (0;000) | ✗ | 02/02/17 |
Zn(CrS2)2 | COD | 9012048 | Fd-3m (227) | ✔ | 14 | 128 | 3 | 0.0 | 0.001 | 0.187 | (0;000) | ✗ | 02/02/17 |
Zn(CrSe2)2 | COD | 9012050 | Fd-3m (227) | ✔ | 14 | 128 | 3 | 0.0 | 0.001 | 0.239 | (0;000) | ✗ | 02/02/17 |
Cr2CdSe4 | COD | 9012053 | Fd-3m (227) | ✔ | 14 | 128 | 3 | 0.0 | 0.007 | 0.094 | (0;000) | ✗ | 02/02/17 |
FeCu2GeS4 | COD | 9012061 | I-42m (121) | ✗ | 8 | 58 | 3 | 0.0 | 0.007 | 0.602 | ? | ✗ | 15/02/17 |
VBiO4 | COD | 9012062 | I4_1/a (88) | ✔ | 12 | 104 | 3 | 2.1086 | 2.165 | 0.000 | (0;000) | ✗ | 05/01/17 |
CoAs2 | COD | 9012076 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.0 | 0.179 | 0.012 | (0;000) | ✗ | 05/01/17 |
As2S3 | COD | 9012091 | P2_1/c (14) | ✔ | 20 | 112 | 2 | 1.5014 | 1.906 | 0.000 | (0;000) | ✗ | 30/01/17 |
As4S5 | COD | 9012102 | P2_1/m (11) | ✔ | 18 | 100 | 1 | 1.7978 | 2.005 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ti4FeS8 | COD | 9012119 | C2/m (12) | ✔ | 13 | 104 | 3 | 0.0 | 0.016 | 0.502 | (0;001) | ✗ | 02/02/17 |
Ti3FeS6 | COD | 9012120 | P-31c (163) | ✔ | 20 | 160 | 3 | 0.0 | 0.005 | 0.335 | (1;000) | ✗ | 02/02/17 |
Ti2FeS4 | COD | 9012121 | C2/m (12) | ✔ | 7 | 56 | 3 | 0.0 | 0.020 | 0.484 | (0;001) | ✗ | 27/01/17 |
FeSe2 | COD | 9012125 | Pnnm (58) | ✔ | 6 | 40 | 3 | 0.2989 | 0.802 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiTa3O8 | COD | 9012127 | C2/c (15) | ✔ | 24 | 180 | 3 | 3.5605 | 3.610 | 0.000 | (0;000) | ✗ | 04/08/17 |
Cr2CuS4 | COD | 9012141 | Fd-3m (227) | ✔ | 14 | 126 | 3 | 0.0 | 0.000 | 0.480 | (0;000) | ✗ | 02/02/17 |
Cr2FeS4 | COD | 9012149 | Fd-3m (227) | ✔ | 14 | 120 | 3 | 0.0 | 0.006 | 0.370 | (0;000) | ✗ | 02/02/17 |
Cu(RhS2)2 | COD | 9012162 | Fd-3m (227) | ✔ | 14 | 138 | 3 | 0.0 | 0.000 | 0.589 | (0;000) | ✗ | 02/02/17 |
Ta2FeO6 | COD | 9012189 | P4_2/mnm (136) | ✔ | 18 | 140 | 3 | 0.1708 | 0.281 | 0.000 | (0;000) | ✗ | 02/02/17 |
WSe2 | COD | 9012193 | P6_3/mmc (194) | ✔ | 6 | 80 | 2 | 0.8573 | 1.336 | 0.000 | (0;000) | ✗ | 11/04/17 |
Al2Cu | COD | 9012196 | I4/mcm (140) | ✔ | 6 | 34 | 3 | 0.0 | 0.000 | 0.914 | (1;000) | ✗ | 05/01/17 |
CaSO4 | COD | 9012207 | C222 (21) | ✗ | 18 | 120 | 1 | 5.7747 | 5.775 | 0.000 | (0;000) | ✗ | 22/03/17 |
V2O5 | COD | 9012221 | Pmmn (59) | ✔ | 14 | 112 | 2 | 1.7969 | 2.041 | 0.000 | (0;000) | ✗ | 07/08/17 |
C | COD | 9012231 | Cmme (67) | ✔ | 8 | 32 | 2 | 0.0 | 0.009 | 0.643 | (0;001) | ✗ | 27/01/17 |
C | COD | 9012233 | Pcca (54) | ✔ | 16 | 64 | 2 | 0.0 | 0.002 | 0.513 | (1;001) | ✗ | 27/01/17 |
C | COD | 9012235 | Cmme (67) | ✔ | 8 | 32 | 3 | 0.0 | 0.003 | 0.679 | (0;000) | ✗ | 27/01/17 |
C | COD | 9012236 | Cmmm (65) | ✔ | 8 | 32 | 1 | 0.0 | 0.008 | 0.559 | (1;001) | ✗ | 27/01/17 |
C | COD | 9012237 | Pban (50) | ✔ | 16 | 64 | 2 | 0.0 | 0.001 | 0.117 | (1;000) | ✗ | 27/01/17 |
C | COD | 9012238 | Ia3 (206) | ✔ | 8 | 32 | 3 | 3.4586 | 3.459 | 0.000 | (0;000) | ✗ | 27/01/17 |
C | COD | 9012241 | Im-3m (229) | ✔ | 8 | 32 | 3 | 2.5767 | 3.974 | 0.000 | (0;000) | ✗ | 27/01/17 |
C | COD | 9012242 | P6_3/mmc (194) | ✔ | 4 | 16 | 3 | 3.3976 | 4.784 | 0.000 | (0;000) | ✗ | 27/01/17 |
PPdSe | COD | 9012269 | Pbcn (60) | ✔ | 24 | 232 | 2 | 0.729 | 0.798 | 0.000 | (0;000) | ✗ | 04/08/17 |
Tl2S | COD | 9012278 | P-3m1 (164) | ✔ | 3 | 32 | 3 | 0.0 | 0.015 | 0.183 | (0;000) | ✗ | 27/01/17 |
Na3AlF6 | COD | 9012285 | Fm-3m (225) | ✔ | 10 | 72 | 1 | 5.8614 | 5.861 | 0.000 | (0;000) | ✗ | 05/01/17 |
C | COD | 9012303 | Fd-3m (227) | ✔ | 2 | 8 | 3 | 4.1576 | 5.595 | 0.000 | (0;000) | ✗ | 27/01/17 |
SbO2 | COD | 9012314 | Pnna (52) | ✔ | 24 | 136 | 3 | 0.0 | 1.589 | 1.000 | (0;000) | ✗ | 04/08/17 |
Mg(InS2)2 | COD | 9012321 | Fd-3m (227) | ✔ | 14 | 120 | 3 | 1.9394 | 1.939 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca(InS2)2 | COD | 9012322 | Fd-3m (227) | ✔ | 14 | 120 | 3 | 2.2045 | 2.205 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cd(InS2)2 | COD | 9012323 | Fd-3m (227) | ✔ | 14 | 124 | 3 | 1.4147 | 1.507 | 0.000 | (0;000) | ✗ | 02/02/17 |
In2HgS4 | COD | 9012324 | Fd-3m (227) | ✔ | 14 | 124 | 3 | 0.6681 | 0.867 | 0.000 | (0;000) | ✗ | 02/02/17 |
Mn(InS2)2 | COD | 9012325 | Fd-3m (227) | ✔ | 14 | 130 | 3 | 0.0 | 0.000 | 0.764 | (0;000) | ✗ | 02/02/17 |
In2FeS4 | COD | 9012326 | Fd-3m (227) | ✔ | 14 | 116 | 3 | 0.0 | 0.003 | 0.302 | (0;000) | ✗ | 02/02/17 |
Bi2O3 | COD | 9012328 | P-4b2 (117) | ✗ | 20 | 192 | 3 | 0.0 | 0.000 | 0.728 | ? | ✗ | 21/03/17 |
V2FeO4 | COD | 9012329 | Fd-3m (227) | ✔ | 14 | 116 | 3 | 0.0 | 0.004 | 0.451 | (0;000) | ✗ | 27/01/17 |
V2CdO4 | COD | 9012330 | Fd-3m (227) | ✔ | 14 | 124 | 3 | 0.0 | 0.009 | 0.528 | (0;000) | ✗ | 27/01/17 |
V2ZnO4 | COD | 9012331 | Fd-3m (227) | ✔ | 14 | 124 | 3 | 0.0 | 0.000 | 0.451 | (0;000) | ✗ | 27/01/17 |
AlV2O4 | COD | 9012337 | Fd-3m (227) | ✔ | 14 | 106 | 3 | 0.0 | 0.000 | 0.645 | (0;000) | ✗ | 05/01/17 |
MgV2O4 | COD | 9012338 | Fd-3m (227) | ✔ | 14 | 120 | 3 | 0.0 | 0.000 | 0.608 | (0;000) | ✗ | 27/01/17 |
FeAs2 | COD | 9012340 | Pnnm (58) | ✔ | 6 | 36 | 3 | 0.2868 | 0.618 | 0.000 | (0;000) | ✗ | 05/01/17 |
Te2Ru | COD | 9012341 | Pa3 (205) | ✔ | 12 | 112 | 3 | 0.0 | 0.378 | 0.015 | (0;000) | ✗ | 02/02/17 |
As2Pd | COD | 9012346 | Pa3 (205) | ✔ | 12 | 112 | 3 | 0.0 | 0.226 | 0.153 | (0;000) | ✗ | 30/01/17 |
Sb2Pd | COD | 9012347 | Pa3 (205) | ✔ | 12 | 112 | 3 | 0.0 | 0.006 | 0.371 | (1;000) | ✗ | 02/02/17 |
Sb2Pt | COD | 9012348 | Pa3 (205) | ✔ | 12 | 80 | 3 | 0.0 | 0.170 | 0.036 | (0;000) | ✗ | 02/02/17 |
S | COD | 9012364 | C2/c (15) | ✔ | 20 | 120 | 1 | 1.9556 | 2.174 | 0.000 | (0;000) | ✗ | 02/02/17 |
AsPd2 | COD | 9012381 | Cmc2_1 (36) | ✗ | 12 | 164 | 3 | 0.0 | 0.001 | 0.213 | ? | ✗ | 07/08/17 |
Cu5As2 | COD | 9012384 | Ibam (72) | ✔ | 14 | 130 | 3 | 0.0 | 0.000 | 0.547 | (0;111) | ✗ | 05/01/17 |