| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| MgSiP2 | ICSD | 642734 | I-42d (122) | ✗ | 8 | 48 | 3 | 0.6848 | 0.746 | 0.000 | (0;000) | ✗ | 15/02/17 |
| TiPd2 | ICSD | 184670 | I4/mmm (139) | ✔ | 3 | 48 | 3 | 0.0 | 0.005 | 0.210 | (1;111) | ✗ | 27/01/17 |
| TiO2 | COD | 1511015 | P4_2/mnm (136) | ✔ | 6 | 48 | 3 | 1.8907 | 1.891 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NiSn | COD | 9008905 | P6_3/mmc (194) | ✔ | 4 | 48 | 3 | 0.0 | 0.032 | 0.718 | (0;000) | ✗ | 27/01/17 |
| ScAlCO | ICSD | 426425 | P6_3mc (186) | ✗ | 8 | 48 | 3 | 1.205 | 2.325 | 0.000 | (0;000) | ✗ | 15/02/17 |
| RbCaSb | ICSD | 409178 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 1.5422 | 1.607 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KSrCO3F | ICSD | 262231 | P-6m2 (187) | ✗ | 7 | 48 | 1 | 4.1919 | 4.195 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NaMgSb | COD | 9008323 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 0.8715 | 0.964 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbCaAs | ICSD | 409177 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 1.3437 | 1.450 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Cs2Se | ICSD | 41687 | Fdd2 (43) | ✗ | 6 | 48 | 1 | 1.3763 | 1.379 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CsNaTe | ICSD | 405538 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 1.9586 | 2.076 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsNaSe | ICSD | 41322 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 2.1205 | 2.274 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZrNi2 | COD | 1523432 | Fd-3m (227) | ✔ | 6 | 48 | 3 | 0.0 | 0.000 | 0.403 | (0;000) | ✗ | 27/01/17 |
| Ba(AlSi)2 | ICSD | 153384 | Cmcm (63) | ✔ | 10 | 48 | 3 | 0.0 | 0.005 | 0.310 | (1;110) | ✗ | 30/01/17 |
| NiPb | ICSD | 108642 | P6_3/mmc (194) | ✔ | 4 | 48 | 3 | 0.0 | 0.095 | 0.654 | (1;000) | ✗ | 27/01/17 |
| Ge2Sb2Te5 | ICSD | 637823 | P-3m1 (164) | ✔ | 9 | 48 | 2 | 0.0 | 0.040 | 0.126 | (1;000) | ✗ | 02/02/17 |
| PtPb | ICSD | 105602 | P6_3/mmc (194) | ✔ | 4 | 48 | 3 | 0.0 | 0.221 | 0.639 | (1;000) | ✗ | 27/01/17 |
| Zr2SN2 | COD | 4124514 | P6_3/mmc (194) | ✔ | 10 | 48 | 3 | 0.1779 | 1.455 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbH3O2 | ICSD | 47115 | Cmc2_1 (36) | ✗ | 12 | 48 | 1 | 2.3548 | 2.373 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CdHgS4 | ICSD | 26857 | I-4 (82) | ✗ | 6 | 48 | 1 | 0.0 | 0.009 | 0.786 | ? | ✗ | 22/03/17 |
| NiS | COD | 1011038 | R3m (160) | ✗ | 6 | 48 | 3 | 0.0 | 0.000 | 0.430 | ? | ✗ | 15/02/17 |
| Rb2Te2Pd | ICSD | 648727 | Immm (71) | ✔ | 5 | 48 | 1 | 0.5801 | 1.185 | 0.000 | (0;000) | ✗ | 27/01/17 |
| HfIN | ICSD | 190384 | R-3m (166) | ✔ | 6 | 48 | 2 | 0.6678 | 1.802 | 0.000 | (0;000) | ✗ | 29/03/17 |
| CsN3 | ICSD | 25008 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 4.2572 | 4.296 | 0.000 | (0;000) | ✗ | 27/01/17 |
| MgGeAs2 | ICSD | 182368 | I-42d (122) | ✗ | 8 | 48 | 3 | 1.0302 | 1.030 | 0.000 | (0;000) | ✗ | 07/10/16 |
| MgSiAs2 | ICSD | 182367 | I-42d (122) | ✗ | 8 | 48 | 3 | 1.2401 | 1.240 | 0.000 | (0;000) | ✗ | 07/10/16 |
| MgCN2 | ICSD | 44110 | I-42d (122) | ✗ | 8 | 48 | 3 | 3.6613 | 3.869 | 0.000 | (0;000) | ✗ | 07/10/16 |
| Ca(BC)2 | ICSD | 166515 | P4_2/mmc (131) | ✔ | 10 | 48 | 2 | 0.0 | 0.003 | 0.249 | (1;000) | ✗ | 27/01/17 |
| CaGeN2 | ICSD | 23523 | I-42d (122) | ✗ | 8 | 48 | 3 | 3.0865 | 3.087 | 0.000 | (0;000) | ✗ | 07/10/16 |
| RbPdF3 | ICSD | 73166 | Pm-3m (221) | ✔ | 5 | 48 | 3 | 0.0 | 0.000 | 0.589 | (0;000) | ✗ | 27/01/17 |
| FeGe | ICSD | 103492 | P2_13 (198) | ✗ | 8 | 48 | 3 | 0.0653 | 0.087 | 0.000 | (0;000) | ✔ | 06/10/16 |
| FeGe | ICSD | 43055 | C2/m (12) | ✔ | 8 | 48 | 3 | 0.0 | 0.008 | 0.869 | (1;011) | ✔ | 06/10/16 |
| AlCl3 | ICSD | 39566 | C2/m (12) | ✔ | 8 | 48 | 2 | 5.243 | 5.321 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Fe3S4 | COD | 9000077 | R-3m (166) | ✔ | 7 | 48 | 2 | 0.0 | 0.016 | 0.515 | (0;000) | ✗ | 27/01/17 |
| BBr3 | ICSD | 173374 | P2_1/m (11) | ✔ | 8 | 48 | 1 | 3.5823 | 3.889 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BCl3 | ICSD | 24526 | P2_1/m (11) | ✔ | 8 | 48 | 1 | 3.2389 | 3.347 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MgGeP2 | ICSD | 182369 | I-42d (122) | ✗ | 8 | 48 | 3 | 1.4973 | 1.529 | 0.000 | (0;000) | ✗ | 07/10/16 |
| AlF3 | ICSD | 30274 | R32 (155) | ✗ | 8 | 48 | 3 | 7.2936 | 7.295 | 0.000 | (0;000) | ✗ | 06/10/16 |
| FeSi | ICSD | 36188 | P2_13 (198) | ✗ | 8 | 48 | 3 | 0.1202 | 0.156 | 0.000 | (0;000) | ✔ | 06/10/16 |
| BI3 | ICSD | 173375 | P2_1/m (11) | ✔ | 8 | 48 | 1 | 2.4262 | 2.516 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MgSiN2 | ICSD | 44109 | I-42d (122) | ✗ | 8 | 48 | 3 | 3.4662 | 3.893 | 0.000 | (0;000) | ✗ | 07/10/16 |
| MgSiP2 | ICSD | 22189 | I-42d (122) | ✗ | 8 | 48 | 3 | 1.2908 | 1.291 | 0.000 | (0;000) | ✗ | 07/10/16 |
| MgSiSb2 | ICSD | 237069 | I-42d (122) | ✗ | 8 | 48 | 3 | 0.0393 | 0.039 | 0.000 | (0;000) | ✔ | 07/10/16 |
| HfNCl | ICSD | 261539 | R-3m (166) | ✔ | 6 | 48 | 2 | 2.0932 | 2.412 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaPN2 | ICSD | 411818 | I-42d (122) | ✗ | 8 | 48 | 3 | 4.7455 | 4.887 | 0.000 | (0;000) | ✗ | 07/10/16 |
| Fe3Se4 | ICSD | 15043 | C2/m (12) | ✔ | 7 | 48 | 3 | 0.0 | 0.011 | 0.357 | (0;000) | ✔ | 06/10/16 |
| C | COD | 9012591 | P6_3/mmc (194) | ✔ | 12 | 48 | 3 | 4.3813 | 5.309 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li2CrCl4 | ICSD | 403035 | C2/m (12) | ✔ | 7 | 48 | 1 | 0.0 | 0.036 | 0.374 | (0;000) | ✗ | 27/01/17 |
| Pt3PbC | ICSD | 77234 | Pm-3m (221) | ✔ | 5 | 48 | 3 | 0.0 | 0.000 | 0.364 | (1;111) | ✗ | 27/01/17 |
| BaF2 | ICSD | 41651 | P6_3/mmc (194) | ✔ | 6 | 48 | 2 | 5.7976 | 6.002 | 0.000 | (0;000) | ✗ | 05/01/17 |
| CrP2 | ICSD | 2526 | C2/m (12) | ✔ | 6 | 48 | 3 | 0.0 | 0.029 | 0.247 | (0;000) | ✔ | 27/01/17 |
| MoP2 | ICSD | 37222 | Ccm2_1 (36) | ✗ | 6 | 48 | 3 | 0.0 | 0.301 | 0.230 | (1;000) | ✔ | 04/10/16 |
| BaPb | ICSD | 58664 | Cmcm (63) | ✔ | 4 | 48 | 1 | 0.0 | 0.085 | 0.123 | (0;110) | ✗ | 06/10/16 |
| BaSn | ICSD | 58678 | Cmcm (63) | ✔ | 4 | 48 | 1 | 0.0 | 0.023 | 0.135 | (0;110) | ✗ | 05/01/17 |
| SnPt3C | ICSD | 108179 | Pm-3m (221) | ✔ | 5 | 48 | 3 | 0.0 | 0.000 | 0.378 | (1;111) | ✗ | 27/01/17 |
| GeO2 | ICSD | 16577 | P3_221 (154) | ✗ | 9 | 48 | 3 | 3.7257 | 3.809 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Sr(SnAs)2 | ICSD | 611428 | R3m (160) | ✗ | 5 | 48 | 2 | 0.0 | 0.021 | 0.032 | (1;000) | ✔ | 06/10/16 |
| Si2N2O | ICSD | 98638 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.1733 | 5.173 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GeO2 | ICSD | 200730 | P3_121 (152) | ✗ | 9 | 48 | 3 | 3.7477 | 3.872 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Si2N2O | ICSD | 98639 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 4.9363 | 4.936 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BiI | ICSD | 1559 | C2/m (12) | ✔ | 8 | 48 | 1 | 0.139 | 0.161 | 0.000 | (0;001) | ✗ | 06/10/16 |
| NaGeAu | ICSD | 78866 | Im2m (44) | ✗ | 6 | 48 | 3 | 0.0 | 0.004 | 0.703 | (1;000) | ✔ | 06/10/16 |
| Ge2Os | ICSD | 43690 | C2/m (12) | ✔ | 6 | 48 | 3 | 0.0 | 0.314 | 0.057 | (0;000) | ✔ | 27/01/17 |
| SrClF | COD | 9013892 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 5.8674 | 5.867 | 0.000 | (0;000) | ✗ | 27/01/17 |
| FeGe | ICSD | 53456 | C2/m (12) | ✔ | 8 | 48 | 3 | 0.0 | 0.009 | 0.876 | (1;110) | ✗ | 27/01/17 |
| Al2O3 | ICSD | 169722 | C2/c (15) | ✔ | 10 | 48 | 3 | 9.3608 | 9.361 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Al2O3 | COD | 1200005 | C2/m (12) | ✔ | 10 | 48 | 3 | 4.5991 | 4.699 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Al2O3 | COD | 9009681 | R-3c (167) | ✔ | 10 | 48 | 3 | 6.3488 | 6.349 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Al2O3 | ICSD | 99783 | R-3c (167) | ✔ | 10 | 48 | 3 | 0.0 | 0.015 | 0.293 | (1;000) | ✗ | 05/01/17 |
| Bi2O3 | ICSD | 186365 | P-3m1 (164) | ✔ | 5 | 48 | 3 | 0.4261 | 1.051 | 0.000 | (0;000) | ✗ | 05/01/17 |
| YClO | ICSD | 60585 | R-3m (166) | ✔ | 6 | 48 | 2 | 4.0542 | 4.591 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Al2O3 | ICSD | 173014 | P1 (1) | ✗ | 10 | 48 | 3 | 0.0 | 0.285 | 1.000 | (0;000) | ✔ | 06/10/16 |
| AlBO3 | COD | 9011182 | R-3c (167) | ✔ | 10 | 48 | 3 | 5.9642 | 6.081 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Al2O3 | ICSD | 82504 | C2/m (12) | ✔ | 10 | 48 | 3 | 4.5944 | 4.693 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CsAlO2 | ICSD | 28372 | Fd-3m (227) | ✔ | 8 | 48 | 3 | 4.8428 | 4.850 | 0.000 | (0;000) | ✗ | 05/01/17 |
| AlF3 | COD | 1000467 | R-3c (167) | ✔ | 8 | 48 | 3 | 8.0575 | 8.058 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Al2Se3 | ICSD | 14373 | Cc (9) | ✗ | 10 | 48 | 3 | 1.5341 | 1.554 | 0.000 | (0;000) | ✗ | 06/10/16 |
| YGa | COD | 2310244 | Cmcm (63) | ✔ | 4 | 48 | 3 | 0.0 | 0.001 | 0.461 | (1;000) | ✗ | 27/01/17 |
| Sr(MnGe)2 | ICSD | 403 | I4/mmm (139) | ✔ | 5 | 48 | 3 | 0.0 | 0.005 | 0.746 | (0;111) | ✗ | 27/01/17 |
| KAlO2 | COD | 2105208 | Fd-3m (227) | ✔ | 8 | 48 | 0 | 3.2866 | 3.290 | 0.000 | (0;000) | ✗ | 05/01/17 |
| ZrSiCuP | ICSD | 59594 | P4/nmm (129) | ✔ | 8 | 48 | 3 | 0.0 | 0.005 | 0.090 | (0;001) | ✗ | 27/01/17 |
| NaAlSe2 | ICSD | 44704 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 2.2881 | 2.395 | 0.000 | (0;000) | ✗ | 05/01/17 |
| NbAlRu2 | COD | 1523383 | Fm-3m (225) | ✔ | 4 | 48 | 3 | 0.0 | 0.000 | 0.145 | (1;000) | ✗ | 05/01/17 |
| RbAlO2 | ICSD | 28373 | Fd-3m (227) | ✔ | 8 | 48 | 3 | 3.7643 | 3.769 | 0.000 | (0;000) | ✗ | 05/01/17 |
| MgH2 | ICSD | 155809 | Pnma (62) | ✔ | 12 | 48 | 1 | 1.7913 | 3.828 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaBr2 | ICSD | 14220 | Pmnn (58) | ✔ | 6 | 48 | 1 | 4.4866 | 4.487 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ba(CrAs)2 | ICSD | 609849 | I4/mmm (139) | ✔ | 5 | 48 | 2 | 0.0 | 0.006 | 0.557 | (1;000) | ✗ | 05/01/17 |
| LaBr3 | ICSD | 31581 | P2_1/m (11) | ✔ | 8 | 48 | 3 | 3.1889 | 3.189 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MgH2 | ICSD | 155808 | Pbcn (60) | ✔ | 12 | 48 | 1 | 3.6029 | 3.778 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr(CrAs)2 | ICSD | 610273 | I4/mmm (139) | ✔ | 5 | 48 | 2 | 0.0 | 0.015 | 0.674 | (1;000) | ✗ | 05/01/17 |
| Sr(SnAs)2 | COD | 1008735 | R-3m (166) | ✔ | 5 | 48 | 2 | 0.0 | 0.091 | 0.028 | (1;000) | ✗ | 05/01/17 |
| CaSn | ICSD | 165193 | Cmcm (63) | ✔ | 4 | 48 | 1 | 0.0 | 0.065 | 0.315 | (0;110) | ✗ | 06/10/16 |
| TiNCl | ICSD | 261525 | Pmmn (59) | ✔ | 6 | 48 | 2 | 0.6554 | 0.655 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaSn | ICSD | 55220 | Ccmm (63) | ✔ | 4 | 48 | 3 | 0.0 | 0.013 | 0.316 | (1;000) | ✗ | 06/10/16 |
| CrSb2 | ICSD | 86811 | I4/mcm (140) | ✔ | 6 | 48 | 3 | 0.0 | 0.006 | 0.448 | (0;000) | ✗ | 27/01/17 |
| Ca3SiBr2 | ICSD | 89541 | R3m (160) | ✗ | 6 | 48 | 1 | 0.0 | 0.002 | 0.536 | (1;000) | ✔ | 05/12/16 |
| MgH2 | ICSD | 168832 | Pa3 (205) | ✔ | 12 | 48 | 1 | 2.6473 | 3.399 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ca3SiBr2 | ICSD | 89542 | R3m (160) | ✗ | 6 | 48 | 1 | 0.0 | 0.004 | 0.425 | ? | ✗ | 06/10/16 |
| Ca3SiBr2 | ICSD | 89543 | P-6m2 (187) | ✗ | 6 | 48 | 1 | 0.0 | 0.004 | 0.331 | ? | ✗ | 06/10/16 |
| Ca3SiBr2 | ICSD | 89544 | Cm (8) | ✗ | 6 | 48 | 1 | 0.0 | 0.003 | 0.511 | ? | ✗ | 06/10/16 |