| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▴ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Zr(Fe2Si)2 | ICSD | 87172 | P4_2/mnm (136) | ✔ | 14 | 88 | 3 | 0.0 | 0.001 | 0.392 | (0;000) | ✗ | 27/01/17 |
| YGa | COD | 2310244 | Cmcm (63) | ✔ | 4 | 48 | 3 | 0.0 | 0.001 | 0.461 | (1;000) | ✗ | 27/01/17 |
| La5Bi3 | ICSD | 616760 | P6_3/mcm (193) | ✔ | 16 | 60 | 3 | 0.0 | 0.001 | 0.649 | (0;000) | ✗ | 06/10/16 |
| LaS | ICSD | 69581 | Cm2e (39) | ✗ | 4 | 18 | 2 | 0.0 | 0.001 | 0.772 | (0;010) | ✔ | 06/10/16 |
| YGa | ICSD | 104030 | Cmcm (63) | ✔ | 4 | 48 | 3 | 0.0 | 0.001 | 0.461 | (1;000) | ✗ | 06/10/16 |
| B9N | COD | 1525095 | I4/mmm (139) | ✔ | 10 | 32 | 1 | 0.0 | 0.001 | 0.538 | (0;111) | ✗ | 05/01/17 |
| C3N4 | ICSD | 248430 | P-6 (174) | ✗ | 7 | 32 | 1 | 0.0 | 0.001 | 0.871 | (0;000) | ✔ | 06/10/16 |
| ZrRu3C | ICSD | 77282 | Pm-3m (221) | ✔ | 5 | 56 | 3 | 0.0 | 0.001 | 0.588 | (1;111) | ✗ | 27/01/17 |
| Hf(CuP)2 | ICSD | 53287 | P-3m1 (164) | ✔ | 5 | 44 | 3 | 0.0 | 0.001 | 0.174 | (1;000) | ✗ | 27/01/17 |
| HfCuGe | ICSD | 600832 | Pnma (62) | ✔ | 12 | 108 | 3 | 0.0 | 0.001 | 0.367 | (0;011) | ✗ | 27/01/17 |
| FeBiO3 | ICSD | 260119 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.001 | 0.531 | ? | ✗ | 06/10/16 |
| Ca3SiBr2 | ICSD | 89545 | Cm (8) | ✗ | 6 | 48 | 1 | 0.0 | 0.001 | 0.512 | ? | ✗ | 06/10/16 |
| FeAs | COD | 9007671 | Pnma (62) | ✔ | 8 | 52 | 3 | 0.0 | 0.001 | 0.486 | (0;011) | ✗ | 05/01/17 |
| MnCoP | COD | 1008861 | Pnma (62) | ✔ | 12 | 148 | 3 | 0.0 | 0.001 | 0.615 | (1;011) | ✗ | 27/01/17 |
| Li2Ca | ICSD | 413207 | Fd-3m (227) | ✔ | 6 | 32 | 1 | 0.0 | 0.001 | 0.744 | (0;000) | ✗ | 27/01/17 |
| CsReF6 | COD | 1530107 | R-3 (148) | ✔ | 8 | 66 | 1 | 0.0 | 0.001 | 0.032 | (0;000) | ✗ | 27/01/17 |
| Cd(FeO2)2 | ICSD | 619857 | Fd-3m (227) | ✔ | 14 | 104 | 3 | 0.0 | 0.001 | 0.661 | (0;000) | ✗ | 27/01/17 |
| Zn(FeO2)2 | COD | 9006902 | Fd-3m (227) | ✔ | 14 | 104 | 3 | 0.0 | 0.001 | 0.369 | (0;000) | ✗ | 27/01/17 |
| Ga5Pd | COD | 1522867 | I4/mcm (140) | ✔ | 12 | 166 | 3 | 0.0 | 0.001 | 0.517 | (1;000) | ✗ | 02/02/17 |
| Sr(ZnSb)2 | COD | 7221361 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.0 | 0.001 | 0.132 | (0;000) | ✗ | 27/01/17 |
| SiRh | ICSD | 650306 | Pnma (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.001 | 0.174 | (0;011) | ✗ | 27/01/17 |
| Nb3CuTe4 | ICSD | 628496 | P6_3/m (176) | ✔ | 16 | 148 | 3 | 0.0 | 0.001 | 0.667 | (0;000) | ✗ | 02/02/17 |
| Os | ICSD | 27568 | P2_1/c (14) | ✔ | 8 | 128 | 1 | 0.0 | 0.001 | 0.042 | (1;001) | ✗ | 02/02/17 |
| Ti3In4 | ICSD | 59553 | P4/mbm (127) | ✔ | 14 | 176 | 3 | 0.0 | 0.001 | 0.381 | (1;000) | ✗ | 02/02/17 |
| KAgF3 | COD | 7200990 | Pnma (62) | ✔ | 20 | 164 | 3 | 0.0 | 0.001 | 0.443 | (0;110) | ✗ | 30/01/17 |
| Ag3P | COD | 9015865 | Pm-3n (223) | ✔ | 8 | 76 | 3 | 0.0 | 0.001 | 0.278 | (0;000) | ✗ | 30/01/17 |
| TiSnSb | COD | 1532679 | Fddd (70) | ✔ | 12 | 124 | 3 | 0.0 | 0.001 | 0.667 | (1;111) | ✗ | 02/02/17 |
| Zn(BrN)2 | COD | 9016192 | Imma (74) | ✔ | 10 | 72 | 1 | 0.0 | 0.001 | 0.725 | (1;000) | ✗ | 02/02/17 |
| Ca5Pb3 | ICSD | 619480 | P6_3/mcm (193) | ✔ | 16 | 184 | 1 | 0.0 | 0.001 | 0.500 | (1;000) | ✗ | 02/02/17 |
| MnB | COD | 1511485 | P4_2/ncm (138) | ✔ | 16 | 144 | 3 | 0.0 | 0.001 | 0.588 | (0;000) | ✗ | 02/02/17 |
| Sr(Ni2Sn)2 | ICSD | 418131 | I4/mcm (140) | ✔ | 14 | 156 | 3 | 0.0 | 0.001 | 0.333 | (1;111) | ✗ | 02/02/17 |
| CaNi3 | ICSD | 619444 | R-3m (166) | ✔ | 12 | 120 | 3 | 0.0 | 0.001 | 0.607 | (1;000) | ✗ | 22/03/17 |
| Sr3Fe2Cu2S2O5 | ICSD | 84961 | I4/mmm (139) | ✔ | 14 | 110 | 1 | 0.0 | 0.001 | 0.956 | (0;000) | ✗ | 22/03/17 |
| Cs2NaFeF6 | ICSD | 16255 | R-3m (166) | ✔ | 20 | 154 | 1 | 0.0 | 0.001 | 0.149 | (1;111) | ✗ | 22/03/17 |
| Nb3CrS6 | ICSD | 626392 | P6_322 (182) | ✗ | 20 | 178 | 3 | 0.0 | 0.001 | 0.629 | ? | ✗ | 22/03/17 |
| ScMn2 | ICSD | 643551 | P6_3/mmc (194) | ✔ | 12 | 164 | 3 | 0.0 | 0.001 | 0.747 | (1;000) | ✗ | 29/03/17 |
| TlFeBr4 | ICSD | 402064 | Pnna (52) | ✔ | 24 | 196 | 1 | 0.0 | 0.001 | 0.518 | (1;000) | ✗ | 04/08/17 |
| NbSe2 | ICSD | 645377 | P-6m2 (187) | ✗ | 12 | 100 | 1 | 0.0 | 0.001 | 0.784 | ? | ✗ | 29/03/17 |
| Cs2NaNiF6 | ICSD | 42152 | R-3m (166) | ✔ | 20 | 158 | 1 | 0.0 | 0.001 | 0.685 | (1;111) | ✗ | 22/03/17 |
| Ti2CuSb3 | COD | 1526687 | P-4m2 (115) | ✗ | 6 | 50 | 3 | 0.0 | 0.001 | 0.797 | ? | ✗ | 15/02/17 |
| Y2AlGe3 | ICSD | 78969 | Pnma (62) | ✔ | 24 | 148 | 3 | 0.0 | 0.001 | 0.706 | (0;011) | ✗ | 04/08/17 |
| RbCrI3 | COD | 1528243 | C2 (5) | ✗ | 20 | 176 | 2 | 0.0 | 0.001 | 0.604 | ? | ✗ | 22/03/17 |
| Ca4Ni4Ge3 | ICSD | 421432 | Cmcm (63) | ✔ | 22 | 184 | 3 | 0.0 | 0.001 | 0.887 | (1;000) | ✗ | 07/08/17 |
| H6CN4O3 | COD | 2009875 | Pm (6) | ✗ | 14 | 48 | 1 | 0.0 | 0.001 | 0.173 | (0;100) | ✔ | 22/03/17 |
| BiPtPb3 | ICSD | 58834 | P4_2/mnm (136) | ✔ | 20 | 268 | 3 | 0.0 | 0.001 | 0.923 | (1;000) | ✗ | 21/03/17 |
| MnGaPt | COD | 1523336 | P6_3/mmc (194) | ✔ | 6 | 76 | 3 | 0.0 | 0.001 | 0.576 | (0;000) | ✗ | 27/01/17 |
| Cd2AgAu | COD | 2310024 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.001 | 0.855 | (1;000) | ✗ | 05/01/17 |
| Sr(Ni2B)6 | COD | 8103490 | R-3m (166) | ✔ | 19 | 148 | 3 | 0.0 | 0.001 | 0.724 | (0;000) | ✗ | 05/01/17 |
| NiS | ICSD | 42493 | P6_3mc (186) | ✗ | 4 | 32 | 0 | 0.0 | 0.001 | 0.296 | (0;000) | ✔ | 06/10/16 |
| Ca(MnGe)2 | ICSD | 81743 | I4/mmm (139) | ✔ | 5 | 48 | 3 | 0.0 | 0.001 | 0.817 | (1;000) | ✗ | 27/01/17 |
| CaPt5 | ICSD | 58929 | P6/mmm (191) | ✔ | 6 | 60 | 3 | 0.0 | 0.001 | 0.554 | (1;000) | ✗ | 27/01/17 |
| SiRu | ICSD | 650627 | Pm-3m (221) | ✔ | 2 | 20 | 3 | 0.0 | 0.001 | 0.162 | (0;000) | ✗ | 27/01/17 |
| NbSiPt | COD | 1522281 | Pnma (62) | ✔ | 12 | 108 | 3 | 0.0 | 0.001 | 0.465 | (1;011) | ✗ | 27/01/17 |
| HfMn2 | COD | 1523075 | P6_3/mmc (194) | ✔ | 12 | 168 | 3 | 0.0 | 0.001 | 0.941 | (0;000) | ✗ | 27/01/17 |
| ScB4Ir3 | COD | 1511750 | P6_3/m (176) | ✔ | 16 | 148 | 3 | 0.0 | 0.001 | 0.211 | (1;000) | ✗ | 05/01/17 |
| GeIr | ICSD | 52126 | Pmnb (62) | ✔ | 8 | 52 | 3 | 0.0 | 0.001 | 0.568 | (0;011) | ✗ | 06/10/16 |
| Zr3Cd2 | ICSD | 102092 | Pmmm (47) | ✔ | 5 | 60 | 2 | 0.0 | 0.001 | 0.667 | (1;001) | ✗ | 06/10/16 |
| AsRu | ICSD | 611293 | Pnma (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.001 | 0.175 | (0;011) | ✗ | 05/01/17 |
| CoH2SO5 | COD | 9009371 | C2/c (15) | ✔ | 18 | 110 | 3 | 0.0 | 0.001 | 0.531 | (1;100) | ✗ | 27/01/17 |
| CaCd2 | ICSD | 619190 | P6_3/mmc (194) | ✔ | 12 | 136 | 3 | 0.0 | 0.001 | 0.544 | (1;001) | ✗ | 02/02/17 |
| K5Ag(NO)2 | ICSD | 73296 | Pbam (55) | ✔ | 20 | 156 | 1 | 0.0 | 0.001 | 0.373 | (0;000) | ✗ | 30/01/17 |
| Ni4Mo | COD | 1523776 | I4/m (87) | ✔ | 5 | 54 | 3 | 0.0 | 0.001 | 0.721 | (1;000) | ✗ | 27/01/17 |
| Ba(MoSe)3 | ICSD | 603615 | P6_3/m (176) | ✔ | 14 | 140 | 1 | 0.0 | 0.001 | 0.675 | (0;000) | ✗ | 02/02/17 |
| TaNiP2 | ICSD | 646158 | Pnma (62) | ✔ | 16 | 132 | 3 | 0.0 | 0.001 | 0.312 | (0;011) | ✗ | 02/02/17 |
| Sr2NiN2 | COD | 1526740 | Pnma (62) | ✔ | 20 | 160 | 1 | 0.0 | 0.001 | 0.269 | (0;000) | ✗ | 02/02/17 |
| MgNi2P | ICSD | 74784 | Pnma (62) | ✔ | 16 | 140 | 3 | 0.0 | 0.001 | 0.347 | (0;101) | ✗ | 02/02/17 |
| Na2CoS2 | ICSD | 67386 | Ibam (72) | ✔ | 10 | 94 | 1 | 0.0 | 0.001 | 0.349 | (0;000) | ✗ | 02/02/17 |
| YSnPt | ICSD | 417531 | Pnma (62) | ✔ | 12 | 140 | 3 | 0.0 | 0.001 | 0.753 | (1;011) | ✗ | 02/02/17 |
| Nb5Ga3 | ICSD | 634736 | I4/mcm (140) | ✔ | 16 | 208 | 3 | 0.0 | 0.001 | 0.498 | (1;000) | ✗ | 02/02/17 |
| NaLiCO3 | COD | 1010872 | P-6m2 (187) | ✗ | 18 | 102 | 3 | 0.0 | 0.001 | 0.657 | ? | ✗ | 15/02/17 |
| LiCaGe2 | ICSD | 25328 | Pnma (62) | ✔ | 16 | 84 | 1 | 0.0 | 0.001 | 0.779 | (0;011) | ✗ | 02/02/17 |
| TaFeGe | ICSD | 632129 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.001 | 0.387 | (1;011) | ✗ | 27/01/17 |
| Ba(PO4)2 | COD | 9015132 | P-1 (2) | ✔ | 22 | 136 | 1 | 0.0 | 0.001 | 0.505 | (1;001) | ✗ | 04/08/17 |
| ScSi7Rh3 | COD | 2106276 | R-3c (167) | ✔ | 22 | 180 | 3 | 0.0 | 0.001 | 0.289 | (1;000) | ✗ | 07/08/17 |
| SrZn5 | COD | 2310336 | Pnma (62) | ✔ | 24 | 280 | 3 | 0.0 | 0.001 | 0.598 | (1;000) | ✗ | 04/08/17 |
| FeCu2SnS4 | COD | 1011151 | I-42m (121) | ✗ | 8 | 68 | 3 | 0.0 | 0.001 | 0.361 | (1;111) | ✔ | 15/02/17 |
| HfFe2 | ICSD | 632249 | P6_3/mmc (194) | ✔ | 24 | 224 | 3 | 0.0 | 0.001 | 0.239 | (1;000) | ✗ | 04/08/17 |
| TaFeTe3 | COD | 2002027 | P2_1 (4) | ✗ | 10 | 78 | 3 | 0.0 | 0.001 | 0.821 | ? | ✗ | 22/03/17 |
| Mn5B2P | ICSD | 109111 | I4/mcm (140) | ✔ | 16 | 172 | 3 | 0.0 | 0.001 | 0.755 | (1;111) | ✗ | 21/03/17 |
| MnGaNi2 | ICSD | 160323 | C2/m (12) | ✔ | 20 | 240 | 3 | 0.0 | 0.001 | 0.804 | (1;001) | ✗ | 22/03/17 |
| LiMnO2 | COD | 1513963 | I4_1/amd (141) | ✔ | 16 | 120 | 3 | 0.0 | 0.001 | 0.726 | (1;111) | ✗ | 29/03/17 |
| AsPd2 | COD | 9012381 | Cmc2_1 (36) | ✗ | 12 | 164 | 3 | 0.0 | 0.001 | 0.213 | ? | ✗ | 07/08/17 |
| SbRu | COD | 9012556 | Pnma (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.001 | 0.549 | (0;011) | ✗ | 27/01/17 |
| Zr(FeGe)6 | COD | 1525979 | P6/mmm (191) | ✔ | 13 | 76 | 3 | 0.0 | 0.001 | 0.951 | (0;000) | ✗ | 27/01/17 |
| AgPPt5 | ICSD | 605633 | P4/mmm (123) | ✔ | 7 | 66 | 3 | 0.0 | 0.001 | 0.756 | (1;110) | ✗ | 05/01/17 |
| YInAg2 | COD | 1509655 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.001 | 0.380 | (0;000) | ✗ | 05/01/17 |
| MgWO4 | ICSD | 36310 | P2/c (13) | ✔ | 12 | 96 | 3 | 0.0 | 0.001 | 1.000 | (1;010) | ✗ | 27/01/17 |
| ScSb | COD | 1527139 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 0.0 | 0.001 | 0.233 | (0;000) | ✗ | 27/01/17 |
| Al3Ir | ICSD | 608237 | P6_3/mmc (194) | ✔ | 8 | 52 | 3 | 0.0 | 0.001 | 0.542 | (1;000) | ✗ | 05/01/17 |
| Ta2FeB2 | ICSD | 614207 | P4/mbm (127) | ✔ | 10 | 80 | 3 | 0.0 | 0.001 | 0.401 | (0;001) | ✗ | 05/01/17 |
| BaZnSi | COD | 1527803 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.001 | 0.295 | (0;000) | ✗ | 05/01/17 |
| BaAg | ICSD | 260623 | Pmnb (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.001 | 0.353 | (1;011) | ✗ | 06/10/16 |
| FeBiO3 | ICSD | 180495 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.001 | 0.519 | ? | ✗ | 06/10/16 |
| Pb2Au | COD | 1510272 | I4/mcm (140) | ✔ | 6 | 78 | 3 | 0.0 | 0.001 | 0.588 | (0;111) | ✗ | 05/01/17 |
| Ni4Mo | ICSD | 105047 | I4/m (87) | ✔ | 5 | 54 | 3 | 0.0 | 0.001 | 0.721 | (1;000) | ✗ | 06/10/16 |
| Ca3SiBr2 | COD | 1521784 | R-3m (166) | ✔ | 6 | 48 | 1 | 0.0 | 0.001 | 0.479 | (0;000) | ✗ | 27/01/17 |
| CaCuF4 | ICSD | 9928 | I4/mcm (140) | ✔ | 12 | 98 | 1 | 0.0 | 0.001 | 0.620 | (0;000) | ✗ | 27/01/17 |
| SbRu | ICSD | 990 | Pmnb (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.001 | 0.549 | (0;011) | ✗ | 06/10/16 |
| TiFe2 | COD | 1523306 | P6_3/mmc (194) | ✔ | 12 | 112 | 3 | 0.0 | 0.001 | 0.479 | (1;000) | ✗ | 27/01/17 |
| Zr5CdPb3 | ICSD | 604207 | P6_3/mcm (193) | ✔ | 18 | 148 | 3 | 0.0 | 0.001 | 0.980 | (0;000) | ✗ | 02/02/17 |