▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
RbTcO4 | COD | 1501468 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 1.7831 | 1.783 | 0.000 | (0;000) | ✗ | 29/03/17 |
NbBr5 | ICSD | 409917 | P-1 (2) | ✔ | 12 | 96 | 1 | 0.1833 | 0.196 | 0.000 | (0;000) | ✗ | 06/10/16 |
VSb2O5 | COD | 9004154 | C2/c (15) | ✔ | 16 | 106 | 3 | 0.8007 | 0.000 | 1.000 | (0;000) | ✗ | 29/03/17 |
Ca(CdAs)2 | COD | 7221220 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.2066 | 0.207 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ti3O5 | ICSD | 20361 | Cmcm (63) | ✔ | 16 | 132 | 3 | 0.0 | 0.000 | 0.178 | (1;110) | ✗ | 29/03/17 |
Ti3O5 | ICSD | 26492 | C2/m (12) | ✔ | 16 | 132 | 3 | 0.0 | 0.007 | 0.418 | (0;000) | ✗ | 29/03/17 |
Ti3O5 | COD | 1527090 | C2/m (12) | ✔ | 16 | 132 | 3 | 0.0 | 0.007 | 0.552 | (1;111) | ✗ | 29/03/17 |
Ti3O5 | COD | 4512563 | C2/c (15) | ✔ | 16 | 132 | 3 | 0.0 | 0.005 | 0.399 | (1;000) | ✗ | 29/03/17 |
Re2SbO6 | ICSD | 51023 | C2/c (15) | ✔ | 18 | 142 | 3 | 7.6296 | 0.000 | 1.000 | (0;000) | ✗ | 29/03/17 |
Ca(CoAs)2 | ICSD | 609899 | I4/mmm (139) | ✔ | 5 | 54 | 3 | 0.0 | 0.022 | 0.453 | (0;111) | ✗ | 05/01/17 |
Tl6TeO6 | ICSD | 37135 | R-3 (148) | ✔ | 13 | 120 | 3 | 0.7005 | 0.092 | 1.000 | (0;000) | ✗ | 29/03/17 |
NbP2 | ICSD | 645169 | C2/m (12) | ✔ | 6 | 46 | 3 | 0.0 | 0.044 | 0.088 | (0;111) | ✔ | 27/01/17 |
Ca(Cu2As)2 | ICSD | 32619 | R-3m (166) | ✔ | 7 | 64 | 2 | 0.0 | 0.006 | 0.438 | (1;000) | ✗ | 05/01/17 |
Ca(FeAs)2 | ICSD | 182276 | I4/mmm (139) | ✔ | 5 | 36 | 3 | 0.0 | 0.002 | 0.686 | (1;111) | ✗ | 05/01/17 |
Sr3Ru2O7 | COD | 2002466 | I4/mmm (139) | ✔ | 12 | 104 | 2 | 0.0 | 0.001 | 0.964 | (0;000) | ✗ | 29/03/17 |
Cs2PtF6 | ICSD | 78955 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 2.7742 | 2.796 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr3Ti2O7 | COD | 1530317 | I4/mmm (139) | ✔ | 12 | 96 | 2 | 2.0934 | 2.339 | 0.000 | (0;000) | ✗ | 29/03/17 |
Sr3V2O7 | ICSD | 71320 | I4/mmm (139) | ✔ | 12 | 98 | 2 | 0.0 | 0.010 | 0.766 | (0;000) | ✗ | 29/03/17 |
WBr6 | ICSD | 62048 | R-3 (148) | ✔ | 7 | 56 | 1 | 0.6302 | 0.630 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca(GaAs)2 | ICSD | 422526 | R-3m (166) | ✔ | 5 | 46 | 2 | 0.0 | 0.082 | 0.050 | (1;111) | ✗ | 05/01/17 |
TcP3 | ICSD | 35200 | Pnma (62) | ✔ | 16 | 120 | 2 | 0.0 | 0.026 | 1.000 | (1;000) | ✗ | 29/03/17 |
Ca(MgAs)2 | COD | 7221199 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 1.1991 | 1.610 | 0.000 | (0;000) | ✗ | 05/01/17 |
YZnPO | ICSD | 418523 | R-3m (166) | ✔ | 8 | 68 | 3 | 1.278 | 1.369 | 0.000 | (0;000) | ✗ | 29/03/17 |
Cs2PtF6 | ICSD | 35107 | P-3m1 (164) | ✔ | 9 | 70 | 1 | 2.6133 | 2.633 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca(MnAs)2 | ICSD | 609906 | P-3m1 (164) | ✔ | 5 | 50 | 2 | 0.0 | 0.003 | 0.475 | (1;001) | ✗ | 05/01/17 |
Ca(NiAs)2 | ICSD | 609910 | I4/mmm (139) | ✔ | 5 | 40 | 3 | 0.0 | 0.020 | 0.757 | (1;111) | ✗ | 05/01/17 |
Zr(PS3)2 | ICSD | 35298 | P4_2/m (84) | ✔ | 18 | 100 | 1 | 1.5363 | 1.846 | 0.000 | (0;000) | ✗ | 29/03/17 |
Sc3P2 | ICSD | 41678 | Pnma (62) | ✔ | 20 | 172 | 3 | 0.0 | 0.000 | 0.778 | (0;011) | ✗ | 29/03/17 |
Sc3P2 | ICSD | 41679 | Pnma (62) | ✔ | 20 | 172 | 3 | 0.0 | 0.000 | 0.772 | (0;011) | ✗ | 29/03/17 |
Sc2C | ICSD | 280743 | P-3m1 (164) | ✔ | 3 | 26 | 2 | 0.0 | 0.001 | 0.283 | (1;001) | ✗ | 27/01/17 |
Cs2NiO2 | ICSD | 423923 | I4/mmm (139) | ✔ | 5 | 40 | 1 | 0.0 | 0.030 | 0.744 | (0;000) | ✗ | 27/01/17 |
Cs2TlVF6 | ICSD | 27343 | Fm-3m (225) | ✔ | 10 | 86 | 3 | 0.0 | 0.000 | 0.144 | (0;000) | ✗ | 27/01/17 |
Co2C | ICSD | 16895 | Pmnn (58) | ✔ | 6 | 44 | 3 | 0.0 | 0.023 | 0.344 | (0;000) | ✗ | 06/10/16 |
Ca(AsO3)2 | ICSD | 81064 | P-31m (162) | ✔ | 9 | 56 | 2 | 3.8558 | 4.178 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ca(AsPd)2 | ICSD | 36372 | I4/mmm (139) | ✔ | 5 | 56 | 3 | 0.0 | 0.003 | 0.730 | (0;111) | ✗ | 05/01/17 |
Rh4Pb5 | COD | 1522492 | Fmmm (69) | ✔ | 18 | 276 | 3 | 0.0 | 0.013 | 0.687 | (0;101) | ✗ | 29/03/17 |
Rb2Pd3S4 | ICSD | 648723 | Fddd (70) | ✔ | 18 | 192 | 1 | 1.0853 | 1.222 | 0.000 | (0;000) | ✗ | 29/03/17 |
Rb2Pd3Se4 | ICSD | 648726 | Fddd (70) | ✔ | 18 | 192 | 1 | 0.9443 | 1.050 | 0.000 | (0;000) | ✗ | 29/03/17 |
TlPd3 | ICSD | 649063 | I4/mmm (139) | ✔ | 8 | 134 | 3 | 0.0 | 0.003 | 0.251 | (1;000) | ✗ | 29/03/17 |
InBr3 | ICSD | 65198 | C2/m (12) | ✔ | 8 | 68 | 2 | 2.6722 | 2.697 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca(AsRu)2 | ICSD | 602108 | I4/mmm (139) | ✔ | 5 | 52 | 3 | 0.0 | 0.028 | 0.550 | (1;111) | ✗ | 05/01/17 |
YSnPd | ICSD | 424012 | Pnma (62) | ✔ | 12 | 172 | 3 | 0.0 | 0.002 | 0.722 | (0;011) | ✗ | 29/03/17 |
Ca(ZnAs)2 | COD | 7221219 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.3342 | 0.334 | 0.000 | (0;000) | ✗ | 05/01/17 |
Sc3P | ICSD | 648101 | Pnma (62) | ✔ | 16 | 152 | 3 | 0.0 | 0.003 | 0.250 | (0;000) | ✗ | 29/03/17 |
Te3Pt2 | ICSD | 41371 | R-3m (166) | ✔ | 10 | 76 | 3 | 0.0 | 0.026 | 0.806 | (1;111) | ✗ | 29/03/17 |
Te4Pt3 | ICSD | 41372 | R-3m (166) | ✔ | 7 | 54 | 3 | 0.0 | 0.033 | 0.760 | (0;111) | ✗ | 29/03/17 |
Cs2HgO2 | ICSD | 25513 | I4/mmm (139) | ✔ | 5 | 42 | 2 | 1.9742 | 1.974 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ti3Pt5 | COD | 1522192 | Ibam (72) | ✔ | 16 | 172 | 3 | 0.0 | 0.012 | 0.670 | (0;000) | ✗ | 29/03/17 |
Fe2C | ICSD | 162104 | Pmnn (58) | ✔ | 6 | 40 | 3 | 0.0 | 0.006 | 0.528 | (1;000) | ✗ | 06/10/16 |
Cd2As2O7 | COD | 9007896 | C2/m (12) | ✔ | 11 | 76 | 3 | 2.0721 | 2.542 | 0.000 | (0;000) | ✗ | 05/01/17 |
Sr(CdAs)2 | ICSD | 23249 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.1364 | 0.136 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cs2ZrF6 | ICSD | 25598 | P-3m1 (164) | ✔ | 9 | 64 | 1 | 5.9073 | 5.910 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cd3As2 | COD | 5910128 | Pnnn (48) | ✔ | 10 | 92 | 3 | 0.0 | 0.004 | 0.387 | (0;000) | ✗ | 05/01/17 |
Cd(AsO3)2 | COD | 9007893 | P-31m (162) | ✔ | 9 | 58 | 3 | 2.5174 | 2.843 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cs3Sb | ICSD | 53243 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.8638 | 0.999 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbSc5Te8 | ICSD | 245998 | C2/m (12) | ✔ | 14 | 112 | 3 | 0.048 | 0.255 | 0.000 | (0;000) | ✗ | 29/03/17 |
Cs2O | COD | 9009127 | R-3m (166) | ✔ | 3 | 24 | 2 | 1.3737 | 2.086 | 0.000 | (0;000) | ✗ | 27/01/17 |
Fe4C | ICSD | 187144 | I4/m (87) | ✔ | 5 | 36 | 3 | 0.0 | 0.008 | 0.732 | (0;111) | ✗ | 06/10/16 |
SbRh2 | ICSD | 650253 | Pnma (62) | ✔ | 12 | 156 | 3 | 32.2587 | 0.002 | 1.000 | (0;000) | ✗ | 29/03/17 |
Sn4Rh | ICSD | 174219 | I4_1/acd (142) | ✔ | 20 | 292 | 3 | 0.0 | 0.001 | 0.550 | (1;111) | ✗ | 29/03/17 |
Co2As2O7 | ICSD | 69001 | C2/m (12) | ✔ | 11 | 86 | 3 | 0.0 | 0.013 | 0.584 | (1;000) | ✗ | 05/01/17 |
ScRu2 | ICSD | 150514 | P6_3/mmc (194) | ✔ | 12 | 172 | 3 | 0.0 | 0.005 | 0.771 | (0;000) | ✗ | 29/03/17 |
ScSiRu | ICSD | 420417 | Pnma (62) | ✔ | 12 | 124 | 3 | 0.0 | 0.000 | 0.711 | (1;011) | ✗ | 29/03/17 |
Sr(CoAs)2 | ICSD | 610122 | I4/mmm (139) | ✔ | 5 | 54 | 2 | 0.0 | 0.003 | 0.482 | (1;000) | ✗ | 05/01/17 |
CS2 | COD | 1527106 | Cmce (64) | ✔ | 6 | 32 | 1 | 0.3787 | 0.877 | 0.000 | (0;000) | ✗ | 27/01/17 |
Zn3Ru | COD | 7007706 | I4/mmm (139) | ✔ | 8 | 104 | 3 | 0.0 | 0.006 | 0.707 | (0;111) | ✗ | 29/03/17 |
CoAs2 | COD | 2219402 | Pnnm (58) | ✔ | 6 | 54 | 3 | 0.0 | 0.000 | 0.927 | (1;000) | ✗ | 05/01/17 |
TcS2 | ICSD | 81816 | P-1 (2) | ✔ | 12 | 108 | 2 | 0.0 | 0.010 | 1.000 | (1;111) | ✗ | 29/03/17 |
Sc2S3 | ICSD | 22236 | Fddd (70) | ✔ | 20 | 160 | 3 | 0.912 | 0.927 | 0.000 | (0;000) | ✗ | 29/03/17 |
Sc2S3 | ICSD | 650834 | Fddd (70) | ✔ | 20 | 160 | 2 | 0.0 | 0.005 | 0.588 | (1;111) | ✗ | 29/03/17 |
CoAs2 | COD | 9012076 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.0 | 0.179 | 0.012 | (0;000) | ✗ | 05/01/17 |
Ta2CS2 | ICSD | 23791 | R-3m (166) | ✔ | 5 | 42 | 2 | 0.0 | 0.045 | 0.371 | (1;111) | ✗ | 27/01/17 |
CO2 | ICSD | 110776 | Pnnm (58) | ✔ | 6 | 32 | 1 | 2.2578 | 3.149 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr(CrAs)2 | ICSD | 610273 | I4/mmm (139) | ✔ | 5 | 48 | 2 | 0.0 | 0.015 | 0.674 | (1;000) | ✗ | 05/01/17 |
Cu2As2O7 | COD | 4505378 | C2/m (12) | ✔ | 11 | 74 | 3 | 0.0 | 0.027 | 0.349 | (0;000) | ✗ | 05/01/17 |
Ta2CS2 | ICSD | 23790 | P-3m1 (164) | ✔ | 5 | 42 | 2 | 0.0 | 0.028 | 0.262 | (1;001) | ✗ | 27/01/17 |
Sr(CuAs)2 | ICSD | 78756 | I4/mmm (139) | ✔ | 5 | 42 | 3 | 0.0 | 0.055 | 0.314 | (1;111) | ✗ | 05/01/17 |
K3Cu3As2 | ICSD | 32015 | R-3m (166) | ✔ | 8 | 70 | 2 | 1.2339 | 1.286 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cs | ICSD | 109023 | P6_3/mmc (194) | ✔ | 4 | 36 | 3 | 0.0 | 0.027 | 0.689 | (1;000) | ✗ | 27/01/17 |
CsNiF3 | COD | 1527099 | P6_3/mmc (194) | ✔ | 10 | 80 | 3 | 0.0 | 0.007 | 0.273 | (0;000) | ✗ | 27/01/17 |
CsCuO | ICSD | 40161 | Cmcm (63) | ✔ | 6 | 52 | 3 | 1.0614 | 1.065 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sc2Se3 | ICSD | 651804 | Fddd (70) | ✔ | 20 | 160 | 3 | 0.4329 | 0.473 | 0.000 | (0;000) | ✗ | 29/03/17 |
Sc2Te3 | COD | 9008008 | Fddd (70) | ✔ | 20 | 160 | 3 | 0.0 | 0.006 | 0.217 | (1;111) | ✗ | 29/03/17 |
Sc5Sn3 | ICSD | 651829 | P6_3/mcm (193) | ✔ | 16 | 194 | 3 | 0.0 | 0.000 | 0.821 | (0;000) | ✗ | 29/03/17 |
Sc | COD | 4326666 | Ia3 (206) | ✔ | 16 | 176 | 3 | 0.0 | 0.000 | 0.865 | (1;000) | ✗ | 29/03/17 |
ScSn2 | ICSD | 106965 | I4_1/amd (141) | ✔ | 12 | 156 | 3 | 0.0 | 0.007 | 0.811 | (1;111) | ✗ | 29/03/17 |
CsCu3O2 | ICSD | 413342 | P-3m1 (164) | ✔ | 6 | 54 | 2 | 1.5592 | 1.641 | 0.000 | (0;000) | ✗ | 27/01/17 |
PtC | ICSD | 181345 | Fm-3m (225) | ✔ | 2 | 14 | 3 | 0.0 | 0.168 | 0.273 | (0;000) | ✗ | 06/10/16 |
Sr(Cu2As)2 | COD | 1521016 | R-3m (166) | ✔ | 7 | 64 | 2 | 0.0 | 0.011 | 0.421 | (1;000) | ✗ | 05/01/17 |
TiSe | ICSD | 652055 | R-3m (166) | ✔ | 8 | 72 | 3 | 0.0 | 0.012 | 0.693 | (1;000) | ✗ | 29/03/17 |
TiV4Si3 | ICSD | 652443 | I4/mcm (140) | ✔ | 16 | 152 | 3 | 0.0 | 0.000 | 0.655 | (1;000) | ✗ | 29/03/17 |
Ti2Sn3 | COD | 4000005 | Cmce (64) | ✔ | 20 | 264 | 3 | 0.0 | 0.010 | 0.504 | (1;110) | ✗ | 29/03/17 |
Sr3Tl5 | ICSD | 380325 | Cmcm (63) | ✔ | 16 | 190 | 2 | 14.2151 | 0.000 | 1.000 | (0;000) | ✗ | 29/03/17 |
TiS | COD | 9015328 | R-3m (166) | ✔ | 6 | 54 | 3 | 0.0 | 0.005 | 0.828 | (1;111) | ✗ | 29/03/17 |
Cu5As2 | COD | 9012384 | Ibam (72) | ✔ | 14 | 130 | 3 | 0.0 | 0.000 | 0.547 | (0;111) | ✗ | 05/01/17 |
IrBr3 | ICSD | 14212 | C2/m (12) | ✔ | 8 | 60 | 2 | 1.4173 | 1.460 | 0.000 | (0;000) | ✗ | 06/10/16 |
YCuAs2 | COD | 8100824 | P4/nmm (129) | ✔ | 8 | 64 | 3 | 0.0 | 0.048 | 0.338 | (1;000) | ✗ | 05/01/17 |
Sr(FeAs)2 | COD | 9016374 | I4/mmm (139) | ✔ | 5 | 36 | 2 | 0.0 | 0.003 | 0.531 | (1;111) | ✗ | 05/01/17 |
CsCuO2 | COD | 1527507 | Cmcm (63) | ✔ | 8 | 64 | 2 | 0.9188 | 1.187 | 0.000 | (0;000) | ✗ | 27/01/17 |
CS2 | ICSD | 15672 | Cmce (64) | ✔ | 6 | 32 | 1 | 0.3788 | 0.877 | 0.000 | (0;000) | ✗ | 06/10/16 |