| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▴ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TiAl2 | ICSD | 106252 | Cmmm (65) | ✔ | 6 | 36 | 3 | 0.0 | 0.010 | 0.449 | (1;110) | ✗ | 06/10/16 |
| CrAs | ICSD | 23589 | Pmnb (62) | ✔ | 8 | 76 | 3 | 0.0 | 0.000 | 0.426 | (1;011) | ✗ | 06/10/16 |
| Pb2O3 | ICSD | 36243 | P2_1/m (11) | ✔ | 10 | 92 | 3 | 0.0 | 0.344 | 0.804 | (0;000) | ✔ | 27/01/17 |
| MnAs | ICSD | 16543 | Pmnb (62) | ✔ | 8 | 80 | 3 | 0.0 | 0.004 | 0.326 | (1;000) | ✗ | 06/10/16 |
| MoAs | ICSD | 43188 | Pmnb (62) | ✔ | 8 | 76 | 3 | 0.0 | 0.000 | 0.564 | (0;011) | ✗ | 06/10/16 |
| AsRh | ICSD | 42572 | Pmnb (62) | ✔ | 8 | 88 | 3 | 0.0 | 0.044 | 0.380 | (0;000) | ✗ | 06/10/16 |
| AsRu | ICSD | 42577 | Pmnb (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.002 | 0.208 | (0;011) | ✗ | 06/10/16 |
| Cd3As2 | ICSD | 56167 | Pn-3m (224) | ✔ | 10 | 92 | 3 | 0.0 | 0.006 | 0.213 | (0;111) | ✗ | 30/01/17 |
| CoAs2 | ICSD | 610034 | Pmnn (58) | ✔ | 6 | 38 | 3 | 0.0 | 0.000 | 0.925 | (1;000) | ✗ | 06/10/16 |
| CuAs2 | ICSD | 610303 | Pnnm (58) | ✔ | 6 | 42 | 3 | 0.0 | 0.000 | 0.929 | (0;110) | ✗ | 05/01/17 |
| AlAu | ICSD | 104649 | P2_1/m (11) | ✔ | 8 | 56 | 3 | 0.0 | 0.126 | 0.308 | (1;000) | ✔ | 06/10/16 |
| CaZn | ICSD | 58944 | Ccmm (63) | ✔ | 4 | 44 | 1 | 0.0 | 0.019 | 0.538 | (0;110) | ✗ | 06/10/16 |
| NiAs2 | ICSD | 42116 | Pmnn (58) | ✔ | 6 | 40 | 3 | 0.0 | 0.031 | 0.445 | (1;000) | ✗ | 06/10/16 |
| NbAs2 | ICSD | 18143 | C2 (5) | ✗ | 6 | 46 | 3 | 0.0 | 0.010 | 0.093 | (0;111) | ✔ | 04/10/16 |
| MoO2 | ICSD | 108875 | P2_1 (4) | ✗ | 6 | 52 | 3 | 0.0 | 0.114 | 0.261 | (0;100) | ✔ | 04/10/16 |
| CaAs3 | ICSD | 193 | P-1 (2) | ✔ | 8 | 50 | 1 | 0.0 | 0.060 | 0.008 | (1;100) | ✗ | 06/10/16 |
| SrAs3 | ICSD | 611440 | P-1 (2) | ✔ | 8 | 50 | 3 | 0.0 | 0.022 | 0.192 | (1;101) | ✗ | 05/01/17 |
| Mo5As4 | ICSD | 43186 | I4/m (87) | ✔ | 9 | 90 | 3 | 0.0 | 0.006 | 0.602 | (1;000) | ✗ | 06/10/16 |
| BaAu | ICSD | 419559 | Pmnb (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.005 | 0.453 | (1;011) | ✗ | 06/10/16 |
| CaAu | ICSD | 54978 | Cmcm (63) | ✔ | 4 | 42 | 1 | 0.0 | 0.000 | 0.634 | (0;000) | ✗ | 05/01/17 |
| CdAu | ICSD | 151398 | Pmmb (51) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.867 | (1;000) | ✗ | 06/10/16 |
| GaAu | ICSD | 58457 | Pmnb (62) | ✔ | 8 | 96 | 3 | 0.0 | 0.094 | 0.370 | (1;000) | ✗ | 06/10/16 |
| LaAu | ICSD | 612099 | Ccmm (63) | ✔ | 4 | 28 | 3 | 0.0 | 0.013 | 0.464 | (1;000) | ✗ | 06/10/16 |
| AuN2 | ICSD | 166465 | Pmnn (58) | ✔ | 6 | 42 | 2 | 0.0 | 0.000 | 0.791 | (0;101) | ✗ | 06/10/16 |
| TiAu | ICSD | 612407 | Pmma (51) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.734 | (0;101) | ✗ | 05/01/17 |
| YAu | ICSD | 169022 | Cmcm (63) | ✔ | 4 | 44 | 3 | 0.0 | 0.182 | 0.510 | (0;110) | ✗ | 05/01/17 |
| VAu2 | ICSD | 58614 | Ccmm (63) | ✔ | 6 | 70 | 3 | 0.0 | 0.000 | 0.838 | (0;000) | ✗ | 06/10/16 |
| HfAu3 | ICSD | 611955 | Pmmn (59) | ✔ | 8 | 90 | 3 | 0.0 | 0.000 | 0.820 | (1;000) | ✗ | 05/01/17 |
| YAu3 | ICSD | 612464 | Pmmn (59) | ✔ | 8 | 88 | 3 | 0.0 | 0.008 | 0.601 | (1;000) | ✗ | 05/01/17 |
| ZrAu3 | ICSD | 612509 | Pmmn (59) | ✔ | 8 | 74 | 3 | 0.0 | 0.000 | 0.803 | (1;000) | ✗ | 05/01/17 |
| FeS | ICSD | 68847 | Cmc2_1 (36) | ✗ | 4 | 28 | 3 | 0.0 | 0.028 | 0.242 | (0;000) | ✔ | 06/10/16 |
| FeBr3 | ICSD | 410924 | R-3 (148) | ✔ | 8 | 58 | 2 | 0.0 | 0.010 | 0.479 | (0;000) | ✗ | 02/02/17 |
| Te3As2 | ICSD | 41040 | R3m (160) | ✗ | 5 | 28 | 0 | 0.0 | 0.025 | 0.069 | (1;000) | ✔ | 04/10/16 |
| Co2B | ICSD | 30447 | I4/mcm (140) | ✔ | 6 | 42 | 3 | 0.0 | 0.000 | 0.495 | (1;111) | ✗ | 06/10/16 |
| CrB | ICSD | 30603 | Cmcm (63) | ✔ | 4 | 34 | 3 | 0.0 | 0.000 | 0.833 | (0;110) | ✗ | 06/10/16 |
| FeB | ICSD | 613898 | Cmcm (63) | ✔ | 4 | 22 | 3 | 0.0 | 0.000 | 0.669 | (0;000) | ✗ | 05/01/17 |
| Fe2B | ICSD | 30446 | I4/mcm (140) | ✔ | 6 | 38 | 3 | 0.0 | 0.001 | 0.527 | (1;000) | ✗ | 06/10/16 |
| MoBr3 | ICSD | 413690 | C2mm (38) | ✗ | 8 | 70 | 1 | 0.0 | 0.001 | 0.433 | (0;011) | ✔ | 04/10/16 |
| LiB | ICSD | 236961 | Pbmm (51) | ✔ | 8 | 24 | 2 | 0.0 | 0.004 | 0.395 | (0;001) | ✗ | 06/10/16 |
| BMo | ICSD | 191907 | Cmcm (63) | ✔ | 4 | 34 | 3 | 0.0 | 0.000 | 0.777 | (0;110) | ✗ | 06/10/16 |
| Fe3Se4 | ICSD | 15043 | C2/m (12) | ✔ | 7 | 48 | 3 | 0.0 | 0.011 | 0.357 | (0;000) | ✔ | 06/10/16 |
| NbB | ICSD | 191899 | Cmcm (63) | ✔ | 4 | 32 | 3 | 0.0 | 0.026 | 0.365 | (1;000) | ✗ | 06/10/16 |
| NiB | ICSD | 26937 | Ccmm (63) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.399 | (0;110) | ✗ | 06/10/16 |
| BPd2 | ICSD | 10487 | Pmnn (58) | ✔ | 6 | 46 | 3 | 0.0 | 0.000 | 0.880 | (0;101) | ✗ | 06/10/16 |
| Re3B | ICSD | 191913 | Cmcm (63) | ✔ | 8 | 96 | 3 | 0.0 | 0.022 | 0.653 | (1;000) | ✗ | 06/10/16 |
| BRh | ICSD | 150732 | Cmcm (63) | ✔ | 4 | 40 | 3 | 0.0 | 0.061 | 0.223 | (1;000) | ✗ | 27/01/17 |
| TaB | ICSD | 186194 | Cmcm (63) | ✔ | 4 | 32 | 3 | 0.0 | 0.055 | 0.360 | (1;000) | ✗ | 06/10/16 |
| TiB | ICSD | 189386 | Pmnb (62) | ✔ | 8 | 60 | 3 | 0.0 | 0.000 | 0.817 | (0;011) | ✗ | 06/10/16 |
| VB | ICSD | 42952 | Cmcm (63) | ✔ | 4 | 32 | 3 | 0.0 | 0.019 | 0.325 | (1;000) | ✗ | 06/10/16 |
| SrB6 | ICSD | 50313 | Pm-3m (221) | ✔ | 7 | 28 | 3 | 0.0 | 0.002 | 0.010 | (1;111) | ✗ | 06/10/16 |
| MoBr3 | ICSD | 9422 | Cm2m (38) | ✗ | 8 | 70 | 1 | 0.0 | 0.011 | 0.407 | (0;110) | ✔ | 04/10/16 |
| BaGe | ICSD | 52688 | Cmcm (63) | ✔ | 4 | 28 | 1 | 0.0 | 0.011 | 0.146 | (0;110) | ✗ | 06/10/16 |
| BaIn | ICSD | 414228 | Cmcm (63) | ✔ | 8 | 92 | 1 | 0.0 | 0.011 | 0.250 | (1;000) | ✗ | 02/02/17 |
| GaSb | ICSD | 190426 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.0 | 0.008 | 0.010 | (0;000) | ✔ | 06/10/16 |
| BaPb | ICSD | 58664 | Cmcm (63) | ✔ | 4 | 48 | 1 | 0.0 | 0.085 | 0.123 | (0;110) | ✗ | 06/10/16 |
| BaSi | ICSD | 191760 | Cmcm (63) | ✔ | 4 | 28 | 1 | 0.0 | 0.020 | 0.547 | (1;110) | ✗ | 06/10/16 |
| BaSn | ICSD | 58678 | Cmcm (63) | ✔ | 4 | 48 | 1 | 0.0 | 0.023 | 0.135 | (0;110) | ✗ | 05/01/17 |
| Ba2Bi | ICSD | 2141 | I4/mmm (139) | ✔ | 6 | 70 | 1 | 0.0 | 0.014 | 0.226 | (0;111) | ✗ | 02/02/17 |
| HfBe | ICSD | 616286 | Cmcm (63) | ✔ | 4 | 32 | 3 | 0.0 | 0.043 | 0.661 | (0;000) | ✗ | 05/01/17 |
| BePd3 | ICSD | 107610 | Cmcm (63) | ✔ | 8 | 116 | 3 | 0.0 | 0.005 | 0.685 | (1;000) | ✗ | 05/01/17 |
| Be2Zn | ICSD | 168955 | Fmmm (69) | ✔ | 3 | 20 | 2 | 0.0 | 0.043 | 0.231 | (1;000) | ✗ | 06/10/16 |
| Bi4I | ICSD | 246145 | C2/m (12) | ✔ | 20 | 108 | 3 | 0.0 | 0.059 | 0.855 | (1;001) | ✗ | 06/10/16 |
| BiI3 | ICSD | 187608 | P2_1 (4) | ✗ | 8 | 52 | 3 | 0.0 | 0.431 | 0.407 | (0;000) | ✔ | 06/10/16 |
| CaC2 | ICSD | 290834 | Cmcm (63) | ✔ | 6 | 36 | 1 | 0.0 | 0.051 | 0.065 | (0;000) | ✗ | 06/10/16 |
| Ca2Bi | ICSD | 42136 | I4/mmm (139) | ✔ | 6 | 50 | 1 | 0.0 | 0.059 | 0.073 | (0;000) | ✗ | 06/10/16 |
| CuBi | ICSD | 616577 | P6_3/mmc (194) | ✔ | 4 | 52 | 3 | 0.0 | 0.048 | 0.504 | (1;000) | ✗ | 05/01/17 |
| InBi | ICSD | 184573 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.245 | (1;000) | ✔ | 06/10/16 |
| Bi8Te9 | ICSD | 106330 | R-3m (166) | ✔ | 17 | 94 | 1 | 0.0 | 0.033 | 0.669 | (0;111) | ✗ | 06/10/16 |
| La5Bi3 | ICSD | 616760 | P6_3/mcm (193) | ✔ | 16 | 60 | 3 | 0.0 | 0.001 | 0.649 | (0;000) | ✗ | 06/10/16 |
| Hf2Bi | ICSD | 168286 | C2/m (12) | ✔ | 6 | 58 | 3 | 0.0 | 0.030 | 0.460 | (0;110) | ✗ | 06/10/16 |
| BiSe | ICSD | 72197 | F2mm (42) | ✗ | 4 | 42 | 2 | 0.0 | 0.033 | 0.537 | (1;110) | ✔ | 06/10/16 |
| Hf5Te4 | ICSD | 154358 | I4/m (87) | ✔ | 9 | 84 | 3 | 0.0 | 0.001 | 0.544 | (1;111) | ✗ | 02/02/17 |
| FeSe | ICSD | 182545 | Cmme (67) | ✔ | 4 | 28 | 2 | 0.0 | 0.020 | 0.084 | (0;000) | ✗ | 06/10/16 |
| Cu3Ge | ICSD | 86003 | Pnmm (59) | ✔ | 8 | 74 | 3 | 0.0 | 0.000 | 0.913 | (1;000) | ✗ | 06/10/16 |
| AlPd | ICSD | 58114 | P2_13 (198) | ✗ | 8 | 52 | 3 | 0.0 | 0.000 | 0.482 | (1;101) | ✔ | 06/10/16 |
| BiI3 | ICSD | 187609 | Fm-3m (225) | ✔ | 4 | 26 | 3 | 0.0 | 0.002 | 0.318 | (0;000) | ✗ | 06/10/16 |
| BiI3 | ICSD | 187611 | Pnam (62) | ✔ | 16 | 104 | 3 | 0.0 | 0.026 | 0.642 | (0;000) | ✗ | 06/10/16 |
| YCd3 | ICSD | 102086 | Ccmm (63) | ✔ | 8 | 94 | 3 | 0.0 | 0.000 | 0.845 | (1;110) | ✗ | 06/10/16 |
| In2Bi | ICSD | 1247 | Ccmm (63) | ✔ | 6 | 62 | 3 | 0.0 | 0.000 | 0.715 | (0;000) | ✗ | 06/10/16 |
| K3Bi | ICSD | 26885 | Ccmm (63) | ✔ | 8 | 84 | 1 | 0.0 | 0.006 | 0.037 | (0;000) | ✗ | 06/10/16 |
| K3Bi | ICSD | 58793 | Fm-3m (225) | ✔ | 4 | 42 | 1 | 0.0 | 0.000 | 0.012 | (1;000) | ✗ | 05/01/17 |
| LaBi | ICSD | 58795 | Fm-3m (225) | ✔ | 2 | 8 | 3 | 0.0 | 0.065 | 0.181 | (1;000) | ✗ | 06/10/16 |
| La2Bi | ICSD | 616761 | I4/mmm (139) | ✔ | 6 | 22 | 3 | 0.0 | 0.006 | 0.576 | (1;111) | ✗ | 06/10/16 |
| LiBi | ICSD | 58796 | P4/mmm (123) | ✔ | 2 | 18 | 2 | 0.0 | 0.028 | 0.500 | (1;000) | ✗ | 05/01/17 |
| Li3Bi | ICSD | 58797 | Fm-3m (225) | ✔ | 4 | 24 | 1 | 0.0 | 0.403 | 0.105 | (0;000) | ✗ | 05/01/17 |
| MnBi | ICSD | 192873 | P6_3/mmc (194) | ✔ | 4 | 40 | 3 | 0.0 | 0.007 | 0.433 | (0;000) | ✗ | 06/10/16 |
| ReGe2 | ICSD | 637671 | C2/m (12) | ✔ | 6 | 46 | 3 | 0.0 | 0.117 | 0.344 | (0;111) | ✔ | 27/01/17 |
| NaBi | ICSD | 58816 | P4/mmm (123) | ✔ | 2 | 14 | 2 | 0.0 | 0.106 | 0.422 | (1;000) | ✗ | 06/10/16 |
| Na3Bi | ICSD | 26881 | Ccmm (63) | ✔ | 8 | 84 | 1 | 0.0 | 0.029 | 0.008 | (1;000) | ✗ | 06/10/16 |
| Nb3Bi | ICSD | 58817 | Pm-3n (223) | ✔ | 8 | 108 | 3 | 0.0 | 0.000 | 0.263 | (1;000) | ✗ | 05/01/17 |
| NiBi | ICSD | 58820 | P6_3/mmc (194) | ✔ | 4 | 50 | 3 | 0.0 | 0.000 | 0.745 | (0;000) | ✗ | 05/01/17 |
| BiPd | ICSD | 108171 | P6_3/mmc (194) | ✔ | 4 | 30 | 3 | 0.0 | 0.000 | 0.836 | (1;000) | ✗ | 06/10/16 |
| BiPd3 | ICSD | 58839 | Pmma (51) | ✔ | 16 | 276 | 3 | 0.0 | 0.017 | 0.741 | (0;100) | ✗ | 02/02/17 |
| BiPt | ICSD | 58845 | P6_3/mmc (194) | ✔ | 4 | 30 | 3 | 0.0 | 0.000 | 0.879 | (1;000) | ✗ | 06/10/16 |
| Rb3Bi | ICSD | 58849 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.0 | 0.000 | 0.038 | (1;000) | ✗ | 06/10/16 |
| Rb3Bi | ICSD | 616995 | Ccmm (63) | ✔ | 8 | 64 | 1 | 0.0 | 0.003 | 0.057 | (0;000) | ✗ | 06/10/16 |
| BiRh | ICSD | 109109 | P6_3/mmc (194) | ✔ | 4 | 44 | 3 | 0.0 | 0.010 | 0.572 | (0;000) | ✗ | 06/10/16 |
| ScBi | ICSD | 58856 | Fm-3m (225) | ✔ | 2 | 26 | 3 | 0.0 | 0.008 | 0.261 | (1;000) | ✗ | 05/01/17 |
| SnBi | ICSD | 160382 | Cmce (64) | ✔ | 8 | 116 | 3 | 0.0 | 0.071 | 0.547 | (1;110) | ✗ | 06/10/16 |
| LiAsSe2 | ICSD | 248118 | P-1 (2) | ✔ | 8 | 40 | 1 | 0.0 | 0.096 | 0.008 | (0;000) | ✗ | 06/10/16 |