| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Cu2Sb | COD | 9008317 | P4/nmm (129) | ✔ | 6 | 54 | 3 | 0.0 | 0.000 | 0.769 | (0;000) | ✗ | 27/01/17 |
| CuO2 | ICSD | 150913 | Ccmm (63) | ✔ | 6 | 46 | 1 | 0.0 | 0.000 | 0.927 | (0;110) | ✗ | 06/10/16 |
| CuS2 | ICSD | 628782 | Pnnm (58) | ✔ | 6 | 46 | 3 | 0.0 | 0.000 | 0.970 | (0;110) | ✗ | 27/01/17 |
| CsK2CoO2 | ICSD | 74889 | I4/mmm (139) | ✔ | 6 | 56 | 1 | 0.0 | 0.066 | 0.476 | (0;000) | ✗ | 27/01/17 |
| KAuSe | COD | 1510205 | Cmcm (63) | ✔ | 6 | 52 | 1 | 1.7302 | 2.008 | 0.000 | (0;000) | ✗ | 05/01/17 |
| KAuS | COD | 1510204 | Cmcm (63) | ✔ | 6 | 52 | 1 | 1.8981 | 2.104 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Te2Ir | COD | 1526500 | P4_2/mnm (136) | ✔ | 6 | 58 | 3 | 0.0 | 0.000 | 0.870 | (0;111) | ✗ | 27/01/17 |
| KTeAu | COD | 1510208 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.002 | 0.029 | (1;000) | ✗ | 05/01/17 |
| CuSe2 | ICSD | 242 | Pmnn (58) | ✔ | 6 | 46 | 3 | 0.0 | 0.000 | 0.939 | (0;000) | ✗ | 06/10/16 |
| LiSnAu | COD | 7209391 | P6_3/mmc (194) | ✔ | 6 | 56 | 3 | 0.0 | 0.021 | 0.553 | (0;000) | ✗ | 05/01/17 |
| CN2 | ICSD | 247680 | Cmc2_1 (36) | ✗ | 6 | 28 | 3 | 1.1333 | 1.133 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na2Au | COD | 1510247 | I4/mcm (140) | ✔ | 6 | 58 | 1 | 0.0 | 0.003 | 0.723 | (1;000) | ✗ | 05/01/17 |
| NaTeAu | COD | 1510246 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.001 | 0.028 | (1;000) | ✗ | 05/01/17 |
| SrCu2O3 | ICSD | 416903 | Cmmm (65) | ✔ | 6 | 50 | 3 | 0.0 | 0.005 | 0.916 | (0;000) | ✗ | 27/01/17 |
| TiCu2 | ICSD | 629379 | Ccmm (63) | ✔ | 6 | 68 | 3 | 0.0 | 0.012 | 0.073 | (1;000) | ✗ | 06/10/16 |
| Zr2Ir | ICSD | 641204 | I4/mcm (140) | ✔ | 6 | 50 | 3 | 0.0 | 0.000 | 0.574 | (1;111) | ✗ | 27/01/17 |
| Pb2Au | COD | 1510272 | I4/mcm (140) | ✔ | 6 | 78 | 3 | 0.0 | 0.001 | 0.588 | (0;111) | ✗ | 05/01/17 |
| RbAuSe | COD | 8103428 | Cmcm (63) | ✔ | 6 | 52 | 1 | 1.6696 | 1.949 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Cu2O | COD | 9007497 | Pn-3m (224) | ✔ | 6 | 56 | 3 | 0.4484 | 0.448 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbTeAu | COD | 1510282 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.008 | 0.015 | (0;000) | ✗ | 05/01/17 |
| RbAuS | COD | 1510281 | Cmcm (63) | ✔ | 6 | 52 | 1 | 1.8414 | 2.060 | 0.000 | (0;000) | ✗ | 05/01/17 |
| ZrCu2 | ICSD | 191405 | Cmcm (63) | ✔ | 6 | 68 | 3 | 0.0 | 0.010 | 0.168 | (1;000) | ✗ | 06/10/16 |
| SrSbAu | COD | 1510286 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.000 | 0.446 | (0;000) | ✗ | 05/01/17 |
| ZnCl2 | ICSD | 26152 | P4_2/nmc (137) | ✔ | 6 | 52 | 2 | 3.8088 | 3.809 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TaN | ICSD | 644712 | P-62m (189) | ✗ | 6 | 54 | 3 | 0.0 | 0.000 | 0.289 | (0;100) | ✔ | 06/10/16 |
| Tl2Au | COD | 1510315 | I4/mcm (140) | ✔ | 6 | 74 | 3 | 0.0 | 0.002 | 0.689 | (1;111) | ✗ | 05/01/17 |
| CaSnHg | ICSD | 602726 | P6_3mc (186) | ✗ | 6 | 72 | 3 | 0.0 | 0.049 | 0.221 | (0;000) | ✔ | 28/10/16 |
| TaN | ICSD | 644729 | Cm2m (38) | ✗ | 6 | 54 | 3 | 0.0 | 0.000 | 0.288 | (1;100) | ✔ | 06/10/16 |
| CO2 | ICSD | 188890 | I-42d (122) | ✗ | 6 | 32 | 3 | 7.0217 | 7.119 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaZnSn | ICSD | 106358 | P6_3mc (186) | ✗ | 6 | 72 | 3 | 0.0 | 0.030 | 0.241 | (0;000) | ✔ | 06/10/16 |
| MgF2 | ICSD | 191439 | Pmnn (58) | ✔ | 6 | 48 | 3 | 7.9375 | 7.938 | 0.000 | (0;000) | ✗ | 06/10/16 |
| 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 |
| MgF2 | ICSD | 51243 | P-1 (2) | ✔ | 6 | 48 | 1 | 0.7823 | 1.004 | 0.000 | (0;000) | ✗ | 06/10/16 |
| PdCl2 | COD | 1010447 | Pnnm (58) | ✔ | 6 | 64 | 1 | 0.7905 | 1.217 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NiF2 | ICSD | 34307 | Pmnn (58) | ✔ | 6 | 48 | 3 | 0.0 | 0.017 | 0.293 | (0;000) | ✗ | 06/10/16 |
| Cu2S | ICSD | 166578 | P6_3/mmc (194) | ✔ | 6 | 56 | 3 | 0.0 | 0.031 | 0.151 | (0;000) | ✗ | 27/01/17 |
| 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 |
| YCu2 | COD | 2310298 | Imma (74) | ✔ | 6 | 66 | 3 | 0.0 | 0.001 | 0.694 | (0;100) | ✗ | 27/01/17 |
| FeP2 | ICSD | 15027 | Pmnn (58) | ✔ | 6 | 36 | 3 | 0.4006 | 0.861 | 0.000 | (0;000) | ✗ | 06/10/16 |
| B2Mo | ICSD | 167732 | R-3m (166) | ✔ | 6 | 40 | 3 | 0.0 | 0.020 | 0.604 | (0;111) | ✗ | 05/01/17 |
| NbAs2 | ICSD | 81218 | C2/m (12) | ✔ | 6 | 46 | 3 | 0.0 | 0.025 | 0.093 | (0;100) | ✔ | 04/10/16 |
| KLiSe | ICSD | 67277 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 2.4508 | 2.488 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KLiTe | ICSD | 67887 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 2.2329 | 2.233 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KMgP | ICSD | 641231 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 1.6702 | 1.715 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KMgSb | COD | 9008327 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 1.0987 | 1.115 | 0.000 | (0;000) | ✗ | 27/01/17 |
| FeS2 | ICSD | 42415 | Pmnn (58) | ✔ | 6 | 40 | 3 | 0.8069 | 1.148 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KMnP | COD | 1521902 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.821 | (1;000) | ✗ | 27/01/17 |
| KMnSb | COD | 1521901 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.824 | (1;000) | ✗ | 27/01/17 |
| B2Os | COD | 1510804 | Pmmn (59) | ✔ | 6 | 44 | 3 | 0.0 | 0.175 | 0.368 | (0;010) | ✗ | 05/01/17 |
| TiCu2 | ICSD | 629405 | Cmcm (63) | ✔ | 6 | 68 | 3 | 0.0 | 0.022 | 0.085 | (1;000) | ✗ | 27/01/17 |
| FeSb2 | ICSD | 151397 | Pmnn (58) | ✔ | 6 | 36 | 3 | 0.1637 | 0.361 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ReB2 | COD | 2310090 | P6_3/mmc (194) | ✔ | 6 | 42 | 3 | 0.0 | 0.000 | 0.613 | (1;000) | ✗ | 05/01/17 |
| KNaO | ICSD | 32743 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 2.318 | 2.413 | 0.000 | (0;000) | ✗ | 27/01/17 |
| YB2Rh3 | ICSD | 615340 | Cmmm (65) | ✔ | 6 | 68 | 3 | 0.0 | 0.013 | 0.452 | (0;000) | ✗ | 05/01/17 |
| CoF2 | COD | 9009073 | P4_2/mnm (136) | ✔ | 6 | 62 | 3 | 0.0 | 0.000 | 0.698 | (0;000) | ✗ | 27/01/17 |
| B2Ru | COD | 1510818 | Pmmn (59) | ✔ | 6 | 44 | 3 | 0.0 | 0.059 | 0.376 | (0;010) | ✗ | 05/01/17 |
| ScB2 | ICSD | 106903 | Fd-3m (227) | ✔ | 6 | 34 | 3 | 0.0 | 0.000 | 0.545 | (0;000) | ✗ | 05/01/17 |
| Cu2Te | ICSD | 77055 | P6/mmm (191) | ✔ | 6 | 56 | 3 | 0.0 | 0.006 | 0.376 | (0;000) | ✗ | 27/01/17 |
| FeSe2 | ICSD | 25680 | Pmnn (58) | ✔ | 6 | 40 | 3 | 0.2853 | 0.828 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TcB2 | ICSD | 615553 | P6_3/mmc (194) | ✔ | 6 | 42 | 3 | 0.0 | 0.000 | 0.686 | (1;000) | ✗ | 05/01/17 |
| FeTe2 | ICSD | 86518 | Pmnn (58) | ✔ | 6 | 40 | 3 | 0.0 | 0.691 | 0.013 | (0;000) | ✗ | 06/10/16 |
| Li2Ga | ICSD | 100051 | Cmcm (63) | ✔ | 6 | 38 | 1 | 0.0 | 0.000 | 0.778 | (1;110) | ✗ | 06/10/16 |
| CdAs2 | ICSD | 16037 | I4_122 (98) | ✗ | 6 | 44 | 3 | 0.2887 | 0.909 | 0.000 | (0;000) | ✔ | 06/10/16 |
| CaSb2 | ICSD | 862 | P2_1/m (11) | ✔ | 6 | 40 | 1 | 0.0 | 0.070 | 0.251 | (1;011) | ✔ | 27/01/17 |
| Ga2Os | ICSD | 103785 | Fddd (70) | ✔ | 6 | 84 | 3 | 0.5627 | 0.794 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ReN2 | ICSD | 187441 | C2/m (12) | ✔ | 6 | 50 | 3 | 0.0 | 0.405 | 0.171 | (0;000) | ✔ | 06/10/16 |
| Ga2Ru | ICSD | 635227 | Fddd (70) | ✔ | 6 | 84 | 3 | 0.2122 | 0.894 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ScGa2 | ICSD | 103956 | Cmmm (65) | ✔ | 6 | 74 | 3 | 0.0 | 0.017 | 0.510 | (1;001) | ✗ | 06/10/16 |
| KZnP | COD | 7221374 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.9058 | 0.906 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ba2CuBrO2 | COD | 2002478 | R-3m (166) | ✔ | 6 | 50 | 2 | 2.3456 | 2.346 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ba2H3Br | ICSD | 415127 | P-3m1 (164) | ✔ | 6 | 30 | 1 | 2.0033 | 2.374 | 0.000 | (0;000) | ✗ | 05/01/17 |
| KZnSb | COD | 7221375 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.3531 | 0.353 | 0.000 | (0;000) | ✗ | 27/01/17 |
| FeS2 | COD | 9013067 | Pnnm (58) | ✔ | 6 | 40 | 3 | 0.8098 | 1.147 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ReN2 | ICSD | 187448 | Pm (6) | ✗ | 6 | 50 | 3 | 0.0 | 0.009 | 0.644 | (1;000) | ✔ | 06/10/16 |
| ZrGa2 | ICSD | 104041 | Cmmm (65) | ✔ | 6 | 76 | 3 | 0.0 | 0.016 | 0.470 | (1;110) | ✗ | 06/10/16 |
| Ba2CuClO2 | COD | 2002176 | R-3m (166) | ✔ | 6 | 50 | 2 | 2.3733 | 2.373 | 0.000 | (0;000) | ✗ | 05/01/17 |
| CrAs2 | ICSD | 43898 | C2/m (12) | ✔ | 6 | 48 | 3 | 0.0 | 0.022 | 0.319 | (0;000) | ✔ | 05/01/17 |
| Ba2H3Cl | ICSD | 416893 | P-3m1 (164) | ✔ | 6 | 30 | 1 | 2.1081 | 2.626 | 0.000 | (0;000) | ✗ | 05/01/17 |
| NbSe2 | ICSD | 16304 | P6_3/mmc (194) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.896 | (0;100) | ✔ | 06/10/16 |
| TeRhCl | ICSD | 405714 | Cm (8) | ✗ | 6 | 60 | 2 | 0.7234 | 0.728 | 0.000 | (0;000) | ✗ | 06/10/16 |
| FeSb2 | COD | 9012580 | Pnnm (58) | ✔ | 6 | 36 | 3 | 0.0 | 0.188 | 0.031 | (0;000) | ✗ | 27/01/17 |
| FeSb2 | ICSD | 186639 | I4/mcm (140) | ✔ | 6 | 36 | 3 | 0.0 | 0.009 | 0.620 | (1;111) | ✗ | 27/01/17 |
| Ni2Ge | ICSD | 637346 | P6_3/mmc (194) | ✔ | 6 | 48 | 3 | 0.0 | 0.005 | 0.733 | (0;000) | ✗ | 06/10/16 |
| GeO2 | ICSD | 158598 | Pmnn (58) | ✔ | 6 | 32 | 3 | 3.2329 | 3.286 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MnGaGe | ICSD | 634255 | P4/nmm (129) | ✔ | 6 | 64 | 3 | 0.0 | 0.012 | 0.201 | (0;001) | ✗ | 27/01/17 |
| FeSn2 | COD | 1524518 | I4/mcm (140) | ✔ | 6 | 72 | 3 | 0.0 | 0.010 | 0.417 | (0;000) | ✗ | 27/01/17 |
| ReNCl4 | ICSD | 419181 | I4 (79) | ✗ | 6 | 48 | 2 | 1.0756 | 1.276 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ReNCl4 | ICSD | 10126 | P1 (1) | ✗ | 6 | 48 | 1 | 1.098 | 1.204 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MoAs2 | ICSD | 16820 | C2 (5) | ✗ | 6 | 48 | 3 | 0.0 | 0.044 | 0.308 | (0;000) | ✔ | 06/10/16 |
| CoSbS | ICSD | 40044 | Pmn2_1 (31) | ✗ | 6 | 40 | 3 | 0.0 | 0.367 | 0.147 | (0;000) | ✔ | 06/10/16 |
| Ba2PdO3 | COD | 1000071 | Immm (71) | ✔ | 6 | 56 | 1 | 0.0 | 0.488 | 0.043 | (0;000) | ✗ | 05/01/17 |
| NiP2 | ICSD | 27160 | C2/c (15) | ✔ | 6 | 40 | 3 | 0.5384 | 0.618 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GaCuI4 | ICSD | 400817 | I-4 (82) | ✗ | 6 | 52 | 3 | 1.6021 | 1.602 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaCuBi | COD | 1527798 | P6_3/mmc (194) | ✔ | 6 | 72 | 2 | 0.0 | 0.003 | 0.179 | (1;000) | ✗ | 05/01/17 |
| HfCuSn | ICSD | 190121 | P6_3mc (186) | ✗ | 6 | 74 | 3 | 0.0 | 0.000 | 0.548 | (1;001) | ✔ | 05/12/16 |
| BaBrF | COD | 9011174 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 4.6989 | 4.699 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaHBr | COD | 9009158 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 3.4293 | 3.429 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaCd2 | ICSD | 58643 | Imma (74) | ✔ | 6 | 68 | 3 | 0.0 | 0.042 | 0.486 | (1;111) | ✗ | 05/01/17 |