| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Ta2B2Os | ICSD | 429117 | P4/mnc (128) | ✔ | 20 | 192 | 3 | 0.0 | 0.006 | 0.527 | (0;000) | ✗ | 02/02/17 |
| Ta3B2Ru5 | ICSD | 427424 | P4/mbm (127) | ✔ | 20 | 250 | 3 | 0.0 | 0.000 | 0.989 | (0;111) | ✗ | 02/02/17 |
| YCd3 | COD | 1524117 | Cmcm (63) | ✔ | 8 | 94 | 3 | 0.0 | 0.000 | 0.845 | (1;110) | ✗ | 27/01/17 |
| GeSe2 | ICSD | 90957 | P-4 (81) | ✗ | 12 | 64 | 3 | 0.7241 | 0.727 | 0.000 | (0;000) | ✔ | 10/10/16 |
| NbFeB | ICSD | 614046 | P-62m (189) | ✗ | 9 | 72 | 3 | 0.0 | 0.000 | 0.664 | ? | ✗ | 06/10/16 |
| AlAgO2 | COD | 1509222 | P6_3/mmc (194) | ✔ | 8 | 52 | 3 | 2.4214 | 2.600 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Y(BIr)4 | ICSD | 614580 | P4_2/n (86) | ✔ | 18 | 182 | 3 | 0.0 | 0.000 | 0.842 | (1;111) | ✗ | 02/02/17 |
| Sr2Sc2B4O11 | ICSD | 86435 | P-1 (2) | ✔ | 19 | 120 | 3 | 4.5568 | 4.606 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Y(ReB)4 | ICSD | 615286 | P4_2/nmc (137) | ✔ | 18 | 166 | 3 | 0.0 | 0.000 | 0.907 | (0;000) | ✗ | 02/02/17 |
| Y(BRh)4 | COD | 1511508 | P4_2/nmc (137) | ✔ | 18 | 182 | 3 | 0.0 | 0.000 | 0.889 | (0;000) | ✗ | 02/02/17 |
| Zn5(BRh2)4 | ICSD | 417990 | Cmmm (65) | ✔ | 17 | 208 | 3 | 0.0 | 0.007 | 0.874 | (1;000) | ✗ | 02/02/17 |
| YB4 | COD | 8103481 | P4/mbm (127) | ✔ | 20 | 92 | 3 | 0.0 | 0.002 | 0.218 | (1;001) | ✗ | 02/02/17 |
| Ba(Ni2B)6 | COD | 8103483 | R-3m (166) | ✔ | 19 | 148 | 3 | 0.0 | 0.000 | 0.748 | (1;111) | ✗ | 02/02/17 |
| Ca3(B3Rh4)2 | COD | 1511571 | Fmmm (69) | ✔ | 17 | 184 | 3 | 0.0 | 0.015 | 0.685 | (1;000) | ✗ | 02/02/17 |
| Sr3(B3Rh4)2 | COD | 1511642 | Fmmm (69) | ✔ | 17 | 184 | 3 | 0.0 | 0.006 | 0.684 | (0;000) | ✗ | 02/02/17 |
| TaFeB | ICSD | 614205 | P-62m (189) | ✗ | 9 | 72 | 3 | 0.0 | 0.000 | 0.688 | ? | ✗ | 06/10/16 |
| BaAgAs | COD | 7209304 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.020 | 0.007 | (1;000) | ✗ | 05/01/17 |
| AgAsSe2 | COD | 1509200 | R-3m (166) | ✔ | 4 | 28 | 3 | 0.0 | 0.692 | 0.029 | (0;000) | ✗ | 05/01/17 |
| FeS2 | COD | 9013067 | Pnnm (58) | ✔ | 6 | 40 | 3 | 0.8098 | 1.147 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LaBi | ICSD | 58795 | Fm-3m (225) | ✔ | 2 | 8 | 3 | 0.0 | 0.065 | 0.181 | (1;000) | ✗ | 06/10/16 |
| BIrPd | ICSD | 75030 | F2dd (43) | ✗ | 12 | 152 | 3 | 0.0 | 0.036 | 0.519 | (0;111) | ✔ | 05/12/16 |
| Cd2AgAu | COD | 2310024 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.001 | 0.855 | (1;000) | ✗ | 05/01/17 |
| FeB2 | COD | 1510682 | P6/mmm (191) | ✔ | 3 | 14 | 3 | 0.0 | 0.001 | 0.477 | (1;000) | ✗ | 05/01/17 |
| AgAuF4 | COD | 4331391 | I4/mcm (140) | ✔ | 12 | 100 | 3 | 1.9268 | 1.932 | 0.000 | (0;000) | ✗ | 05/01/17 |
| AgTe2Au | COD | 9003557 | P2/m (10) | ✔ | 8 | 68 | 3 | 0.0 | 0.051 | 0.875 | (0;000) | ✗ | 05/01/17 |
| FeSe | ICSD | 290411 | Cmme (67) | ✔ | 4 | 28 | 3 | 0.0 | 0.009 | 0.575 | (1;111) | ✗ | 27/01/17 |
| ScFeSi | ICSD | 84203 | Pnma (62) | ✔ | 12 | 92 | 3 | 0.0 | 0.001 | 0.734 | (0;011) | ✗ | 27/01/17 |
| ZrCd3 | COD | 2106135 | P4/mmm (123) | ✔ | 4 | 40 | 3 | 0.0 | 0.000 | 0.628 | (1;111) | ✗ | 27/01/17 |
| Ba2CuTeO6 | ICSD | 6240 | P-1 (2) | ✔ | 20 | 146 | 3 | 0.0 | 0.011 | 0.535 | (0;100) | ✗ | 02/02/17 |
| Bi2O3 | ICSD | 168812 | P-42_1c (114) | ✗ | 20 | 112 | 3 | 1.4533 | 1.453 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BPO4 | ICSD | 150371 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.5837 | 7.792 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Zn2AgAu | COD | 2310025 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.017 | 0.856 | (0;000) | ✗ | 05/01/17 |
| BaAgBi | COD | 1509219 | P6_3/mmc (194) | ✔ | 6 | 72 | 3 | 0.0 | 0.157 | 0.393 | (1;000) | ✗ | 05/01/17 |
| Ba2YGaSe5 | ICSD | 262882 | P-1 (2) | ✔ | 18 | 148 | 3 | 1.4878 | 1.895 | 0.000 | (0;000) | ✗ | 02/02/17 |
| La2Bi | ICSD | 616761 | I4/mmm (139) | ✔ | 6 | 22 | 3 | 0.0 | 0.006 | 0.576 | (1;111) | ✗ | 06/10/16 |
| CoAgO2 | ICSD | 180889 | P6_3/mmc (194) | ✔ | 8 | 80 | 3 | 0.0 | 0.002 | 0.391 | (1;000) | ✗ | 05/01/17 |
| BPO4 | ICSD | 150372 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6086 | 7.820 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CrCdF6 | COD | 1525283 | R-3 (148) | ✔ | 8 | 68 | 3 | 0.0 | 0.029 | 0.188 | (0;000) | ✗ | 27/01/17 |
| CsCdF3 | ICSD | 49582 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 3.4268 | 4.435 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BPO4 | ICSD | 150373 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6292 | 7.819 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GeTe | ICSD | 159907 | R3m (160) | ✗ | 2 | 10 | 3 | 0.3876 | 0.455 | 0.000 | (0;000) | ✔ | 06/10/16 |
| CrCdO4 | COD | 1008084 | Cmcm (63) | ✔ | 12 | 100 | 3 | 1.2233 | 1.223 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ba2ScIrO6 | ICSD | 88153 | C2/m (12) | ✔ | 10 | 84 | 3 | 0.0 | 0.291 | 0.410 | (0;000) | ✗ | 02/02/17 |
| Ba2YIrO6 | ICSD | 88155 | C2/m (12) | ✔ | 10 | 84 | 3 | 0.0 | 0.337 | 0.384 | (0;000) | ✗ | 02/02/17 |
| BPO4 | ICSD | 150374 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6752 | 7.855 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaAgP | COD | 7209317 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.1741 | 0.383 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Sc2FeSi2 | ICSD | 76348 | C2/m (12) | ✔ | 10 | 76 | 3 | 0.0 | 0.013 | 0.449 | (1;000) | ✗ | 27/01/17 |
| FeSb2 | COD | 9012580 | Pnnm (58) | ✔ | 6 | 36 | 3 | 0.0 | 0.188 | 0.031 | (0;000) | ✗ | 27/01/17 |
| Ba2Mg3Si4 | ICSD | 408938 | C2/m (12) | ✔ | 18 | 132 | 3 | 0.0 | 0.011 | 0.303 | (1;111) | ✗ | 02/02/17 |
| AlPt | ICSD | 58129 | P2_13 (198) | ✗ | 8 | 52 | 3 | 0.0 | 0.000 | 0.324 | (0;000) | ✔ | 06/10/16 |
| BPO4 | ICSD | 150375 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6708 | 7.835 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ba2NiTeO6 | ICSD | 25005 | R-3m (166) | ✔ | 20 | 144 | 3 | 0.0 | 0.014 | 0.370 | (0;111) | ✗ | 02/02/17 |
| Ba2YReO6 | ICSD | 97089 | P2_1/c (14) | ✔ | 20 | 164 | 3 | 0.0 | 0.029 | 0.393 | (0;000) | ✗ | 02/02/17 |
| Ge2Os | ICSD | 43690 | C2/m (12) | ✔ | 6 | 48 | 3 | 0.0 | 0.314 | 0.057 | (0;000) | ✔ | 27/01/17 |
| BPO4 | ICSD | 150376 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6811 | 7.826 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Be2Ag | COD | 1509229 | Fd-3m (227) | ✔ | 6 | 38 | 3 | 0.0 | 0.000 | 0.446 | (0;000) | ✗ | 05/01/17 |
| AgBF5 | COD | 1509211 | P4/n (85) | ✔ | 14 | 98 | 3 | 0.0 | 0.000 | 0.997 | (1;001) | ✗ | 05/01/17 |
| FeSb | COD | 9008894 | P6_3/mmc (194) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.937 | (0;000) | ✗ | 27/01/17 |
| MnBi | ICSD | 192873 | P6_3/mmc (194) | ✔ | 4 | 40 | 3 | 0.0 | 0.007 | 0.433 | (0;000) | ✗ | 06/10/16 |
| BPO4 | ICSD | 150377 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.7013 | 7.833 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AgBiO3 | COD | 1509237 | R-3 (148) | ✔ | 10 | 88 | 3 | 0.0 | 0.018 | 0.126 | (1;000) | ✗ | 05/01/17 |
| Ba3CaIr2O9 | ICSD | 246280 | P-3m1 (164) | ✔ | 15 | 128 | 3 | 0.0 | 0.002 | 0.470 | (0;001) | ✗ | 02/02/17 |
| BPO4 | ICSD | 150378 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6596 | 7.782 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ba3(CdSb2)2 | COD | 4306710 | C2/m (12) | ✔ | 9 | 74 | 3 | 0.0 | 0.034 | 0.033 | (0;110) | ✗ | 02/02/17 |
| Ba3CdHg10 | ICSD | 290306 | Immm (71) | ✔ | 14 | 162 | 3 | 0.0 | 0.021 | 0.529 | (0;111) | ✗ | 02/02/17 |
| Ba3Ta2CdO9 | ICSD | 156335 | P-3m1 (164) | ✔ | 15 | 122 | 3 | 3.2317 | 3.496 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AgBiSe2 | COD | 9011022 | R-3m (166) | ✔ | 4 | 38 | 3 | 0.0 | 0.452 | 0.027 | (0;000) | ✗ | 05/01/17 |
| CoAgO2 | ICSD | 246157 | P6_3/mmc (194) | ✔ | 8 | 80 | 3 | 0.2692 | 0.483 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ba3InSe4Cl | ICSD | 250812 | I4/mcm (140) | ✔ | 18 | 148 | 3 | 2.301 | 2.403 | 0.000 | (0;000) | ✗ | 02/02/17 |
| FeSe | ICSD | 166445 | Pnma (62) | ✔ | 8 | 56 | 3 | 0.0 | 0.025 | 0.326 | (1;000) | ✗ | 27/01/17 |
| FeSe2 | ICSD | 633475 | Pa3 (205) | ✔ | 12 | 80 | 3 | 0.4059 | 0.485 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Si2N2O | ICSD | 98639 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 4.9363 | 4.936 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ba3Y2Cu2PtO10 | ICSD | 65935 | C2/m (12) | ✔ | 18 | 144 | 3 | 0.0 | 0.004 | 0.369 | (0;111) | ✗ | 02/02/17 |
| Mn3Bi | ICSD | 58808 | R-3m (166) | ✔ | 16 | 200 | 3 | 4.8879 | 0.002 | 1.000 | (0;000) | ✗ | 06/10/16 |
| BPO4 | ICSD | 150379 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6826 | 7.789 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AgBiTe2 | COD | 1509245 | R-3m (166) | ✔ | 4 | 38 | 3 | 0.0 | 0.400 | 0.164 | (0;000) | ✗ | 05/01/17 |
| CsCdCl3 | COD | 1010123 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 1.8314 | 2.333 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BPO4 | ICSD | 150380 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6841 | 7.769 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Bi2O3 | ICSD | 169685 | P31c (159) | ✗ | 20 | 112 | 3 | 1.2724 | 1.273 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CdCo3N | ICSD | 422858 | Pm-3m (221) | ✔ | 5 | 68 | 3 | 0.0 | 0.000 | 0.592 | (1;000) | ✗ | 27/01/17 |
| BPO4 | ICSD | 26890 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.4923 | 7.703 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ba3MgNb2O9 | ICSD | 95406 | P-3m1 (164) | ✔ | 15 | 120 | 3 | 2.0458 | 2.122 | 0.000 | (0;000) | ✗ | 02/02/17 |
| 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 |
| Ba3SrNb2O9 | ICSD | 186191 | P-3m1 (164) | ✔ | 15 | 120 | 3 | 0.8567 | 0.857 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba3Nb2ZnO9 | ICSD | 157044 | P-3m1 (164) | ✔ | 15 | 122 | 3 | 3.1434 | 3.342 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ReGe2 | ICSD | 637671 | C2/m (12) | ✔ | 6 | 46 | 3 | 0.0 | 0.117 | 0.344 | (0;111) | ✔ | 27/01/17 |
| AgPbBrO | ICSD | 33913 | P4/nmm (129) | ✔ | 8 | 76 | 3 | 0.3728 | 0.442 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ba3Ta2NiO9 | ICSD | 240281 | P-3m1 (164) | ✔ | 15 | 120 | 3 | 0.0 | 0.004 | 0.638 | (0;000) | ✗ | 02/02/17 |
| HfB2 | COD | 1510711 | P6/mmm (191) | ✔ | 3 | 18 | 3 | 0.0 | 0.020 | 0.133 | (0;001) | ✗ | 05/01/17 |
| Ti2FeSe4 | ICSD | 633505 | C2/m (12) | ✔ | 7 | 56 | 3 | 0.0 | 0.012 | 0.445 | (0;001) | ✗ | 27/01/17 |
| Ti3Sn | ICSD | 189761 | Cmcm (63) | ✔ | 8 | 100 | 3 | 0.0 | 0.004 | 0.419 | (1;110) | ✗ | 06/10/16 |
| Ba3SrTa2O9 | ICSD | 27496 | P-3m1 (164) | ✔ | 15 | 120 | 3 | 2.018 | 2.069 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaSi2N3 | ICSD | 72466 | Cmc2_1 (36) | ✗ | 12 | 64 | 3 | 4.0847 | 4.085 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BPO4 | ICSD | 413437 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.731 | 7.958 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CuH | ICSD | 44859 | P6_3mc (186) | ✗ | 4 | 24 | 3 | 0.5757 | 1.488 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BPO4 | ICSD | 55082 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.5989 | 7.822 | 0.000 | (0;000) | ✗ | 06/10/16 |
| 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 |
| Ba4Na(BiO4)3 | ICSD | 77640 | Im-3m (229) | ✔ | 20 | 166 | 3 | 0.0 | 0.000 | 0.084 | (0;000) | ✗ | 02/02/17 |