| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| SrHg2 | COD | 1523311 | Imma (74) | ✔ | 6 | 68 | 3 | 0.0 | 0.050 | 0.437 | (0;111) | ✗ | 27/01/17 |
| AgTe2Au | COD | 9003557 | P2/m (10) | ✔ | 8 | 68 | 3 | 0.0 | 0.051 | 0.875 | (0;000) | ✗ | 05/01/17 |
| BaAgSeF | ICSD | 183714 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.2151 | 1.215 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaAgSF | ICSD | 183713 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.4697 | 1.470 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaAgTeF | ICSD | 419382 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.3753 | 1.375 | 0.000 | (0;000) | ✗ | 05/01/17 |
| TiCu2 | ICSD | 629405 | Cmcm (63) | ✔ | 6 | 68 | 3 | 0.0 | 0.022 | 0.085 | (1;000) | ✗ | 27/01/17 |
| TlBSe3 | ICSD | 411344 | Cc (9) | ✗ | 10 | 68 | 2 | 0.841 | 1.470 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SrAgSeF | ICSD | 183710 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.0163 | 1.016 | 0.000 | (0;000) | ✗ | 05/01/17 |
| SrAgTeF | ICSD | 183711 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.141 | 1.141 | 0.000 | (0;000) | ✗ | 05/01/17 |
| SrAgSF | ICSD | 183709 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.2589 | 1.259 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Mg2SiPt | COD | 9007784 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 0.0 | 0.000 | 0.570 | (1;000) | ✗ | 27/01/17 |
| CdCo3N | ICSD | 422858 | Pm-3m (221) | ✔ | 5 | 68 | 3 | 0.0 | 0.000 | 0.592 | (1;000) | ✗ | 27/01/17 |
| TlPPt5 | ICSD | 647975 | P4/mmm (123) | ✔ | 7 | 68 | 3 | 0.0 | 0.002 | 0.520 | (0;000) | ✗ | 27/01/17 |
| SbO2 | COD | 9005378 | C2/c (15) | ✔ | 12 | 68 | 3 | 0.0 | 2.618 | 1.000 | (0;000) | ✗ | 27/01/17 |
| Mg2Sn | ICSD | 642849 | Fd-3m (227) | ✔ | 6 | 68 | 3 | 0.0 | 0.280 | 0.478 | (0;000) | ✗ | 27/01/17 |
| ScAgO2 | COD | 1509495 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 2.2006 | 2.615 | 0.000 | (0;000) | ✗ | 05/01/17 |
| YAgO2 | COD | 1509496 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 2.4715 | 2.676 | 0.000 | (0;000) | ✗ | 05/01/17 |
| AgSbO3 | ICSD | 245292 | R-3 (148) | ✔ | 10 | 68 | 3 | 0.3004 | 0.300 | 0.000 | (0;000) | ✗ | 05/01/17 |
| AgO | COD | 1509688 | P2_1/c (14) | ✔ | 8 | 68 | 3 | 0.1484 | 0.645 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Tl2Ni3S2 | ICSD | 108893 | R-3m (166) | ✔ | 7 | 68 | 3 | 0.0 | 0.054 | 0.414 | (0;111) | ✗ | 27/01/17 |
| Co2NiSe4 | ICSD | 624485 | C2/m (12) | ✔ | 7 | 68 | 3 | 0.0 | 0.027 | 0.522 | (0;111) | ✗ | 27/01/17 |
| V2GeC | ICSD | 42919 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 0.0 | 0.012 | 0.505 | (1;000) | ✗ | 27/01/17 |
| YAl2Co | ICSD | 57645 | Cmcm (63) | ✔ | 8 | 68 | 3 | 0.0 | 0.006 | 0.719 | (0;000) | ✗ | 05/01/17 |
| Al2CuIr | ICSD | 167666 | Cmme (67) | ✔ | 8 | 68 | 3 | 0.0 | 0.032 | 0.244 | (1;001) | ✗ | 05/01/17 |
| KClO3 | ICSD | 26409 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 5.6268 | 5.635 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BiO2 | ICSD | 79500 | C2/c (15) | ✔ | 12 | 68 | 3 | 1.4798 | 1.526 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Hf(Al2Fe)4 | ICSD | 607535 | I4/mmm (139) | ✔ | 13 | 68 | 3 | 0.0 | 0.009 | 0.814 | (0;000) | ✗ | 05/01/17 |
| Fe(SO4)2 | COD | 9003661 | Immm (71) | ✔ | 11 | 68 | 3 | 0.0 | 0.009 | 0.880 | (0;000) | ✗ | 27/01/17 |
| ZrFeP | ICSD | 43204 | Pnma (62) | ✔ | 12 | 68 | 3 | 0.0 | 0.001 | 0.554 | (1;011) | ✗ | 27/01/17 |
| AgPS3 | COD | 2105351 | C2/m (12) | ✔ | 10 | 68 | 3 | 1.3659 | 1.686 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Rb2MnF5 | ICSD | 82218 | P4/mmm (123) | ✔ | 8 | 68 | 1 | 0.0 | 0.052 | 0.707 | (0;000) | ✗ | 27/01/17 |
| Ni(RhSe2)2 | COD | 1008058 | C2/m (12) | ✔ | 7 | 68 | 3 | 0.0 | 0.009 | 0.436 | (0;111) | ✗ | 27/01/17 |
| InBr3 | ICSD | 65198 | C2/m (12) | ✔ | 8 | 68 | 2 | 2.6722 | 2.697 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SiPt5Pb | ICSD | 648402 | P4/mmm (123) | ✔ | 7 | 68 | 3 | 0.0 | 0.004 | 0.374 | (0;000) | ✗ | 27/01/17 |
| Na2AsAu | ICSD | 23254 | Cmcm (63) | ✔ | 8 | 68 | 1 | 0.2318 | 0.248 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaCdAsF | ICSD | 189938 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.8914 | 0.891 | 0.000 | (0;000) | ✗ | 05/01/17 |
| SrSeO3 | COD | 2213989 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 3.848 | 3.849 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BiPO4 | ICSD | 27469 | P2_1 (4) | ✗ | 12 | 68 | 3 | 2.0944 | 2.399 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaZnAsF | ICSD | 189936 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.1626 | 0.163 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Na2CuAs | ICSD | 43937 | Cmcm (63) | ✔ | 8 | 68 | 1 | 0.6081 | 0.674 | 0.000 | (0;000) | ✗ | 05/01/17 |
| SrCd2 | ICSD | 420579 | Imcm (74) | ✔ | 6 | 68 | 3 | 0.0 | 0.020 | 0.472 | (0;111) | ✗ | 06/10/16 |
| SrZnAsF | ICSD | 189934 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.5984 | 0.598 | 0.000 | (0;000) | ✗ | 05/01/17 |
| HfAs | ICSD | 610635 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 0.0 | 0.008 | 0.315 | (1;000) | ✗ | 05/01/17 |
| InAsPt5 | ICSD | 610708 | P4/mmm (123) | ✔ | 7 | 68 | 3 | 0.0 | 0.006 | 0.474 | (1;000) | ✗ | 05/01/17 |
| CdGeO3 | ICSD | 30971 | R-3 (148) | ✔ | 10 | 68 | 3 | 1.7638 | 1.904 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaNbSe2 | ICSD | 26287 | P6_3/mmc (194) | ✔ | 8 | 68 | 2 | 0.3899 | 1.123 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SbAsO4 | COD | 9011214 | P2_1/m (11) | ✔ | 12 | 68 | 2 | 0.0 | 3.878 | 1.000 | (0;000) | ✗ | 05/01/17 |
| GaCl3 | ICSD | 30336 | P-1 (2) | ✔ | 8 | 68 | 1 | 0.0 | 0.013 | 0.056 | (1;000) | ✗ | 06/10/16 |
| TlAsPt5 | ICSD | 611241 | P4/mmm (123) | ✔ | 7 | 68 | 3 | 0.0 | 0.003 | 0.499 | (1;000) | ✗ | 05/01/17 |
| TiAs | COD | 1528330 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 0.0 | 0.005 | 0.547 | (1;000) | ✗ | 05/01/17 |
| Sr2Fe2S2OF2 | ICSD | 249688 | I4/mmm (139) | ✔ | 9 | 68 | 1 | 0.0 | 0.003 | 0.475 | (0;000) | ✗ | 27/01/17 |
| Al6Ru | ICSD | 58157 | Cmcm (63) | ✔ | 14 | 68 | 3 | 0.0 | 0.027 | 0.280 | (0;110) | ✗ | 30/01/17 |
| SrCuSF | ICSD | 157433 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.4773 | 1.477 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrCuTeF | ICSD | 183708 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.3841 | 1.384 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaNbS2 | ICSD | 26285 | P6_3/mmc (194) | ✔ | 8 | 68 | 2 | 0.6029 | 1.331 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KSeO2F | ICSD | 78398 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 3.8904 | 3.918 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ScAuO2 | COD | 1510262 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 1.5211 | 1.922 | 0.000 | (0;000) | ✗ | 05/01/17 |
| YAuO2 | COD | 1510263 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 2.3253 | 2.480 | 0.000 | (0;000) | ✗ | 05/01/17 |
| TiCu2 | ICSD | 629379 | Ccmm (63) | ✔ | 6 | 68 | 3 | 0.0 | 0.012 | 0.073 | (1;000) | ✗ | 06/10/16 |
| ZrCu2 | ICSD | 191405 | Cmcm (63) | ✔ | 6 | 68 | 3 | 0.0 | 0.010 | 0.168 | (1;000) | ✗ | 06/10/16 |
| Sr2Fe2Se2OF2 | ICSD | 249690 | I4/mmm (139) | ✔ | 9 | 68 | 1 | 0.0 | 0.006 | 0.442 | (0;000) | ✗ | 27/01/17 |
| SrCuSeF | ICSD | 172798 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.0 | 0.003 | 0.435 | (1;001) | ✗ | 27/01/17 |
| AuSe | COD | 1510297 | C2/m (12) | ✔ | 8 | 68 | 2 | 0.0 | 0.580 | 0.173 | (0;000) | ✗ | 05/01/17 |
| KHSeO3 | ICSD | 20862 | P-1 (2) | ✔ | 12 | 68 | 1 | 4.525 | 4.707 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KSO2F | ICSD | 93058 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 4.566 | 4.574 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SiPt3 | ICSD | 246170 | C2/m (12) | ✔ | 8 | 68 | 3 | 0.0 | 0.131 | 0.074 | (0;000) | ✔ | 27/01/17 |
| ScCo3B2 | COD | 1510622 | P6/mmm (191) | ✔ | 6 | 68 | 3 | 0.0 | 0.004 | 0.449 | (0;000) | ✗ | 05/01/17 |
| YCo3B2 | COD | 1510628 | P6/mmm (191) | ✔ | 6 | 68 | 3 | 0.0 | 0.001 | 0.504 | (1;001) | ✗ | 05/01/17 |
| ScB2Ir3 | ICSD | 614561 | Cmmm (65) | ✔ | 6 | 68 | 3 | 0.0 | 0.011 | 0.364 | (1;001) | ✗ | 05/01/17 |
| YB2Ir3 | COD | 1510727 | Cmmm (65) | ✔ | 6 | 68 | 3 | 0.0 | 0.015 | 0.380 | (1;001) | ✗ | 05/01/17 |
| K2LiAlP2 | ICSD | 77275 | Ibam (72) | ✔ | 12 | 68 | 1 | 1.9439 | 2.255 | 0.000 | (0;000) | ✗ | 30/01/17 |
| SnPd3 | COD | 9004160 | Pm-3m (221) | ✔ | 4 | 68 | 3 | 0.0 | 0.000 | 0.202 | (1;000) | ✗ | 27/01/17 |
| YB2Rh3 | ICSD | 615340 | Cmmm (65) | ✔ | 6 | 68 | 3 | 0.0 | 0.013 | 0.452 | (0;000) | ✗ | 05/01/17 |
| RbSO2F | ICSD | 89603 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 4.7165 | 4.722 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NO2 | ICSD | 164631 | P2_1/m (11) | ✔ | 12 | 68 | 1 | 1.4082 | 1.460 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NO2 | ICSD | 28331 | P2_1/c (14) | ✔ | 12 | 68 | 1 | 2.5717 | 2.624 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2MnF5 | ICSD | 69675 | P4/mmm (123) | ✔ | 8 | 68 | 1 | 0.0 | 0.052 | 0.625 | (0;000) | ✗ | 27/01/17 |
| Mg3Ge | COD | 1524090 | P-3 (147) | ✔ | 8 | 68 | 1 | 0.0 | 0.000 | 0.605 | (0;000) | ✗ | 27/01/17 |
| SrCuSF | ICSD | 172796 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.0 | 0.013 | 0.400 | (1;001) | ✗ | 27/01/17 |
| Mg3Ge | ICSD | 70070 | P-1 (2) | ✔ | 8 | 68 | 1 | 0.0 | 0.000 | 0.605 | (0;000) | ✗ | 06/10/16 |
| Ba2Fe2S2OF2 | ICSD | 249689 | I4/mmm (139) | ✔ | 9 | 68 | 1 | 0.0 | 0.004 | 0.451 | (0;000) | ✗ | 05/01/17 |
| Ba2Fe2Se2OF2 | ICSD | 249687 | I4/mmm (139) | ✔ | 9 | 68 | 1 | 0.0 | 0.004 | 0.487 | (0;000) | ✗ | 05/01/17 |
| MgZn2 | ICSD | 150576 | Cmcm (63) | ✔ | 6 | 68 | 3 | 0.0 | 0.000 | 0.492 | (1;110) | ✗ | 27/01/17 |
| MgAlSi | ICSD | 153548 | Pnma (62) | ✔ | 12 | 68 | 3 | 0.0 | 0.000 | 0.549 | (0;011) | ✗ | 30/01/17 |
| NaNbO2 | ICSD | 73111 | P6_3/mmc (194) | ✔ | 8 | 68 | 2 | 0.3537 | 1.376 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SbPO4 | ICSD | 62977 | P2_1/m (11) | ✔ | 12 | 68 | 2 | 0.0 | 4.450 | 1.000 | (0;000) | ✗ | 27/01/17 |
| Cs3Li2F5 | ICSD | 245964 | Fmm2 (42) | ✗ | 10 | 68 | 1 | 5.7163 | 5.847 | 0.000 | (0;000) | ✗ | 28/10/16 |
| Mn3PdN | COD | 1009045 | Pm-3m (221) | ✔ | 5 | 68 | 3 | 0.0 | 0.000 | 0.622 | (1;000) | ✗ | 27/01/17 |
| BaCd2 | ICSD | 58643 | Imma (74) | ✔ | 6 | 68 | 3 | 0.0 | 0.042 | 0.486 | (1;111) | ✗ | 05/01/17 |
| BaCdPF | ICSD | 189937 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.1441 | 1.144 | 0.000 | (0;000) | ✗ | 05/01/17 |
| SrZnSbF | ICSD | 189935 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.0103 | 0.016 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ScCuO2 | COD | 4000157 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 2.3272 | 2.327 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaCuSeF | ICSD | 75585 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.4025 | 1.403 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaCuSF | ICSD | 183712 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.6889 | 1.689 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaCuTeF | ICSD | 245624 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.8274 | 0.827 | 0.000 | (0;000) | ✗ | 05/01/17 |
| SrZnPF | COD | 7203808 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.8953 | 0.895 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrNi2Ge | ICSD | 419659 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 0.0 | 0.016 | 0.500 | (0;000) | ✗ | 27/01/17 |
| Mn2SnS4 | ICSD | 23265 | Cmmm (65) | ✔ | 7 | 68 | 3 | 0.0 | 0.005 | 0.524 | (0;001) | ✗ | 27/01/17 |
| Fe2O3 | COD | 9015065 | R-3c (167) | ✔ | 10 | 68 | 3 | 0.0 | 0.011 | 0.606 | (1;000) | ✗ | 27/01/17 |
| KRhF6 | ICSD | 165215 | R-3 (148) | ✔ | 8 | 68 | 1 | 0.0967 | 0.149 | 0.000 | (0;000) | ✗ | 27/01/17 |