| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sr(GaAu)2 | ICSD | 370004 | P4/nmm (129) | ✔ | 10 | 116 | 3 | 0.0 | 0.065 | 0.842 | (0;000) | ✗ | 30/01/17 |
| Sc2ZnS4 | ICSD | 650852 | Fd-3m (227) | ✔ | 14 | 116 | 3 | 0.5497 | 0.550 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Y2ZnS4 | ICSD | 651411 | Fd-3m (227) | ✔ | 14 | 116 | 3 | 0.5177 | 0.518 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiCaAlF6 | COD | 9012618 | P-31c (163) | ✔ | 18 | 116 | 1 | 7.9393 | 7.963 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Te2Ir | COD | 1526496 | Pa3 (205) | ✔ | 12 | 116 | 3 | 0.0 | 0.000 | 0.686 | (1;111) | ✗ | 02/02/17 |
| LiIn(IO3)4 | ICSD | 422056 | P-1 (2) | ✔ | 18 | 116 | 2 | 3.3117 | 3.326 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Te2Ir | COD | 1526498 | Pnma (62) | ✔ | 12 | 116 | 3 | 0.0 | 0.001 | 0.211 | (0;011) | ✗ | 02/02/17 |
| CoTe2 | ICSD | 625403 | Pa3 (205) | ✔ | 12 | 116 | 3 | 0.0 | 0.000 | 0.761 | (1;111) | ✗ | 02/02/17 |
| SrLiAlF6 | ICSD | 68905 | P-31c (163) | ✔ | 18 | 116 | 1 | 7.6302 | 7.645 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Na2CdCl4 | ICSD | 69344 | Pbam (55) | ✔ | 14 | 116 | 1 | 3.5843 | 3.600 | 0.000 | (0;000) | ✗ | 02/02/17 |
| YInCo2 | ICSD | 658677 | Pmma (51) | ✔ | 8 | 116 | 3 | 0.0 | 0.005 | 0.397 | (1;000) | ✗ | 27/01/17 |
| K2LiVO4 | ICSD | 65945 | C2/m (12) | ✔ | 16 | 116 | 1 | 4.0171 | 4.066 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Zn(PO3)2 | COD | 1007095 | C2/c (15) | ✔ | 18 | 116 | 3 | 5.08 | 5.119 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na2TiCl4 | ICSD | 400264 | Pbam (55) | ✔ | 14 | 116 | 1 | 0.0 | 0.012 | 0.435 | (0;000) | ✗ | 02/02/17 |
| NbNiB2 | ICSD | 614910 | Pnma (62) | ✔ | 16 | 116 | 3 | 0.0 | 0.001 | 0.470 | (0;011) | ✗ | 05/01/17 |
| Cs2CdI4 | COD | 1518204 | P2_1/m (11) | ✔ | 14 | 116 | 1 | 2.7112 | 2.711 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaZnSO4F | ICSD | 262274 | C2/c (15) | ✔ | 16 | 116 | 3 | 4.4205 | 4.421 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TaNiB2 | COD | 1510787 | Pnma (62) | ✔ | 16 | 116 | 3 | 0.0 | 0.000 | 0.480 | (0;011) | ✗ | 05/01/17 |
| FeCoSi | ICSD | 165250 | Pnma (62) | ✔ | 12 | 116 | 3 | 0.0 | 0.001 | 0.609 | (1;011) | ✗ | 27/01/17 |
| RhS2 | COD | 5910087 | Pa3 (205) | ✔ | 12 | 116 | 3 | 0.0 | 0.000 | 0.689 | (1;111) | ✗ | 27/01/17 |
| NaVCdO4 | ICSD | 151411 | Cmcm (63) | ✔ | 14 | 116 | 3 | 3.2542 | 3.254 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ba2InO3F | ICSD | 81876 | P4/nmm (129) | ✔ | 14 | 116 | 1 | 2.2156 | 2.759 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2LiNbS4 | ICSD | 414187 | P-1 (2) | ✔ | 16 | 116 | 1 | 2.4841 | 2.594 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZnNi(CN)4 | ICSD | 169760 | P4_2/mcm (132) | ✔ | 20 | 116 | 3 | 2.7426 | 2.768 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaGaBO3F2 | ICSD | 91315 | P6_3/m (176) | ✔ | 16 | 116 | 2 | 5.2302 | 5.579 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Mn2GeO4 | COD | 9000262 | Pbam (55) | ✔ | 14 | 116 | 3 | 0.0 | 0.007 | 0.846 | (0;100) | ✗ | 27/01/17 |
| Ba2InBrO3 | ICSD | 81878 | P4/nmm (129) | ✔ | 14 | 116 | 2 | 2.0352 | 2.422 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Zn(SbO3)2 | COD | 9012739 | P4_2/mnm (136) | ✔ | 18 | 116 | 3 | 0.9854 | 1.087 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlCu3Se2 | ICSD | 68524 | C2/m (12) | ✔ | 12 | 116 | 2 | 0.1018 | 0.214 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba2InClO3 | ICSD | 81877 | P4/nmm (129) | ✔ | 14 | 116 | 1 | 2.1009 | 2.590 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li2PtF6 | COD | 2239770 | P4_2/mnm (136) | ✔ | 18 | 116 | 1 | 2.4866 | 2.518 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KTl(CN)4 | COD | 4308988 | I4_1/a (88) | ✔ | 20 | 116 | 1 | 5.7854 | 5.883 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Y2ZnSe4 | ICSD | 652188 | Fd-3m (227) | ✔ | 14 | 116 | 3 | 0.1048 | 0.105 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiMoS2 | COD | 1531962 | P-1 (2) | ✔ | 16 | 116 | 3 | 0.2758 | 0.281 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba(MgPb)2 | ICSD | 25338 | P4/nmm (129) | ✔ | 10 | 116 | 3 | 0.0 | 0.023 | 0.350 | (0;001) | ✗ | 02/02/17 |
| MnNiGe | ICSD | 41920 | Pnma (62) | ✔ | 12 | 116 | 3 | 0.0 | 0.000 | 0.473 | (1;011) | ✗ | 27/01/17 |
| ZnPt(CN)4 | ICSD | 169758 | P4_2/mcm (132) | ✔ | 20 | 116 | 3 | 3.7624 | 3.764 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Y2CdS4 | ICSD | 620371 | Fd-3m (227) | ✔ | 14 | 116 | 3 | 1.0639 | 1.064 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sc2SnAu2 | ICSD | 130046 | P4/mbm (127) | ✔ | 10 | 116 | 3 | 0.0 | 0.005 | 0.892 | (0;001) | ✗ | 30/01/17 |
| Sc2CdS4 | ICSD | 94994 | Fd-3m (227) | ✔ | 14 | 116 | 3 | 0.8989 | 0.899 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Zr3Co2Si3 | ICSD | 625141 | Cmcm (63) | ✔ | 16 | 116 | 3 | 0.0 | 0.010 | 0.916 | (0;000) | ✗ | 02/02/17 |
| TlCO2 | COD | 4308986 | P2_1/c (14) | ✔ | 16 | 116 | 2 | 2.5146 | 2.589 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Y2CdSe4 | ICSD | 620457 | Fd-3m (227) | ✔ | 14 | 116 | 3 | 0.4534 | 0.453 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sc2CdSe4 | ICSD | 620411 | Fd-3m (227) | ✔ | 14 | 116 | 3 | 0.2863 | 0.286 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Fe2NiB | ICSD | 614129 | Pnma (62) | ✔ | 16 | 116 | 3 | 0.0 | 0.000 | 0.593 | (1;110) | ✗ | 05/01/17 |
| Ba2LiReN4 | ICSD | 411453 | P2_1/m (11) | ✔ | 16 | 116 | 1 | 1.9097 | 1.910 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiSc(SiO3)2 | COD | 9008451 | C2/c (15) | ✔ | 20 | 116 | 3 | 5.094 | 5.223 | 0.000 | (0;000) | ✗ | 02/02/17 |
| MnBr2 | ICSD | 67517 | Fd-3m (227) | ✔ | 12 | 116 | 3 | 0.0 | 0.002 | 0.320 | (0;000) | ✗ | 02/02/17 |
| Cs2TeOF4 | ICSD | 411626 | Cmcm (63) | ✔ | 16 | 116 | 1 | 5.2321 | 5.241 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaVCdO4 | ICSD | 28120 | Cmcm (63) | ✔ | 14 | 116 | 3 | 2.1323 | 2.380 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CoS2 | COD | 9007682 | Pa3 (205) | ✔ | 12 | 116 | 3 | 0.0 | 0.000 | 0.653 | (0;111) | ✗ | 27/01/17 |
| Cr3Os | COD | 1525450 | Pm-3n (223) | ✔ | 8 | 116 | 3 | 0.0 | 0.000 | 0.700 | (0;111) | ✗ | 27/01/17 |
| Rb3Na(RuO4)2 | ICSD | 416038 | P-3m1 (164) | ✔ | 14 | 116 | 1 | 0.0 | 0.003 | 0.072 | (0;001) | ✗ | 02/02/17 |
| Cr3Ru | ICSD | 659684 | Pm-3n (223) | ✔ | 8 | 116 | 3 | 0.0 | 0.000 | 0.658 | (0;111) | ✗ | 27/01/17 |
| Ba(TeO3)2 | ICSD | 8017 | Cmcm (63) | ✔ | 18 | 116 | 2 | 2.1918 | 2.567 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Hf2Ni2Sn | ICSD | 107096 | P4/mbm (127) | ✔ | 10 | 116 | 3 | 0.0 | 0.001 | 0.879 | (0;001) | ✗ | 27/01/17 |
| HgNO2 | ICSD | 60055 | P2_1/c (14) | ✔ | 16 | 116 | 3 | 2.1969 | 2.197 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ti8C5 | ICSD | 20822 | R-3m (166) | ✔ | 13 | 116 | 3 | 0.0 | 0.005 | 0.110 | (1;000) | ✗ | 27/01/17 |
| Ca2PbO4 | COD | 2002530 | Pbam (55) | ✔ | 14 | 116 | 1 | 1.7129 | 1.926 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ca2SnO4 | COD | 1529022 | Pbam (55) | ✔ | 14 | 116 | 1 | 3.0356 | 3.056 | 0.000 | (0;000) | ✗ | 27/01/17 |
| MnSiNi | ICSD | 165241 | Pnma (62) | ✔ | 12 | 116 | 3 | 0.0 | 0.001 | 0.534 | (0;011) | ✗ | 27/01/17 |
| Mn3Ga | ICSD | 634607 | P6_3/mmc (194) | ✔ | 8 | 116 | 3 | 0.0 | 0.001 | 0.680 | (0;000) | ✗ | 27/01/17 |
| V2Pb3O8 | ICSD | 69798 | R-3m (166) | ✔ | 13 | 116 | 3 | 2.6673 | 2.802 | 0.000 | (0;000) | ✗ | 27/01/17 |
| In2FeS4 | COD | 9012326 | Fd-3m (227) | ✔ | 14 | 116 | 3 | 0.0 | 0.003 | 0.302 | (0;000) | ✗ | 02/02/17 |
| Ca2Ni3Ge2 | ICSD | 421074 | Pmma (51) | ✔ | 14 | 116 | 2 | 0.0 | 0.002 | 0.884 | (1;100) | ✗ | 02/02/17 |
| ZrRh | ICSD | 105979 | Pmnb (62) | ✔ | 8 | 116 | 3 | 0.0 | 0.000 | 0.481 | (1;011) | ✗ | 06/10/16 |
| ZrCuSn | ICSD | 190123 | Pnma (62) | ✔ | 12 | 116 | 3 | 0.0 | 0.000 | 0.402 | (1;011) | ✗ | 02/02/17 |
| Fe13Ge3 | ICSD | 150584 | Pm-3m (221) | ✔ | 16 | 116 | 3 | 0.0 | 0.000 | 0.690 | (1;111) | ✗ | 27/01/17 |
| TlCu3S2 | ICSD | 23290 | C2/m (12) | ✔ | 12 | 116 | 2 | 0.2949 | 0.429 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaSiSnO5 | COD | 9006655 | C2/c (15) | ✔ | 16 | 116 | 3 | 3.6012 | 3.668 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2ZnBr4 | COD | 2001701 | P2_1/m (11) | ✔ | 14 | 116 | 1 | 3.6748 | 3.675 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca2SiIr2 | COD | 1532211 | C2/c (15) | ✔ | 10 | 116 | 3 | 0.0 | 0.096 | 0.412 | (0;110) | ✗ | 02/02/17 |
| IrS2 | ICSD | 640949 | Pa3 (205) | ✔ | 12 | 116 | 3 | 0.0 | 0.000 | 0.528 | (1;111) | ✗ | 27/01/17 |
| Ba3(SiAs2)2 | ICSD | 41183 | C2/c (15) | ✔ | 18 | 116 | 1 | 0.7517 | 0.757 | 0.000 | (0;000) | ✗ | 30/01/17 |
| K2AsAuS4 | ICSD | 85681 | P2_1/m (11) | ✔ | 16 | 116 | 3 | 0.8772 | 0.877 | 0.000 | (0;000) | ✗ | 30/01/17 |
| V2Pb3O8 | ICSD | 67604 | C2 (5) | ✗ | 13 | 116 | 3 | 2.7495 | 2.762 | 0.000 | (0;000) | ✗ | 06/10/16 |
| V2Pb3O8 | ICSD | 67605 | C2 (5) | ✗ | 13 | 116 | 3 | 2.725 | 2.737 | 0.000 | (0;000) | ✗ | 06/10/16 |
| V2Pb3O8 | ICSD | 69800 | C2 (5) | ✗ | 13 | 116 | 3 | 2.5077 | 2.573 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NbFe2 | ICSD | 632782 | P6_3/mmc (194) | ✔ | 12 | 116 | 3 | 0.0 | 0.001 | 0.469 | (0;000) | ✗ | 27/01/17 |
| CoSe2 | COD | 9012536 | Pa3 (205) | ✔ | 12 | 116 | 3 | 0.0 | 0.000 | 0.786 | (1;111) | ✗ | 02/02/17 |
| Sr3(SiAs2)2 | COD | 1528461 | C2/c (15) | ✔ | 18 | 116 | 1 | 0.8782 | 0.878 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Sr3CrN3 | ICSD | 154803 | P6_3/m (176) | ✔ | 14 | 118 | 1 | 0.0 | 0.000 | 0.364 | (0;000) | ✗ | 02/02/17 |
| Ba(Cu2P)4 | ICSD | 66016 | I4/m (87) | ✔ | 13 | 118 | 3 | 0.0 | 0.005 | 0.981 | (1;111) | ✗ | 02/02/17 |
| Nb2O2F3 | COD | 4123273 | C2/c (15) | ✔ | 14 | 118 | 3 | 0.0 | 0.000 | 0.850 | (1;100) | ✗ | 27/01/17 |
| Ni(NF7)2 | ICSD | 26397 | I4/m (87) | ✔ | 17 | 118 | 1 | 1.8711 | 1.877 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Zr(MnGe)6 | COD | 1521308 | P6/mmm (191) | ✔ | 13 | 118 | 3 | 0.0 | 0.002 | 0.706 | (1;000) | ✗ | 27/01/17 |
| Zr5Ga3 | ICSD | 635686 | P6_3/mcm (193) | ✔ | 16 | 118 | 3 | 0.0 | 0.000 | 0.923 | (1;000) | ✗ | 02/02/17 |
| Cr3Ir | COD | 1525149 | Pm-3n (223) | ✔ | 8 | 118 | 3 | 0.0 | 0.000 | 0.673 | (0;000) | ✗ | 27/01/17 |
| LiV2O5 | ICSD | 88639 | Pmmn (59) | ✔ | 16 | 118 | 2 | 0.0 | 0.000 | 0.987 | (0;000) | ✗ | 27/01/17 |
| Cr5S8 | ICSD | 626594 | C2/m (12) | ✔ | 13 | 118 | 3 | 0.0 | 0.016 | 0.487 | (0;110) | ✗ | 02/02/17 |
| Cr5Se8 | ICSD | 626705 | C2/m (12) | ✔ | 13 | 118 | 3 | 0.0 | 0.006 | 0.514 | (0;110) | ✗ | 02/02/17 |
| Bi9I2 | ICSD | 39257 | P2_1/m (11) | ✔ | 22 | 118 | 3 | 0.0 | 0.000 | 0.931 | (1;011) | ✗ | 06/10/16 |
| Hf2InAu2 | ICSD | 130042 | P4/mbm (127) | ✔ | 10 | 118 | 3 | 0.0 | 0.000 | 0.997 | (1;001) | ✗ | 30/01/17 |
| Zn2AsO5 | COD | 9000767 | P-1 (2) | ✔ | 16 | 118 | 3 | 0.0 | 0.004 | 0.285 | (1;111) | ✗ | 30/01/17 |
| Mo3Ir | ICSD | 640823 | Pm-3n (223) | ✔ | 8 | 118 | 3 | 0.0 | 0.000 | 0.785 | (0;000) | ✗ | 27/01/17 |
| Al3Pt5 | ICSD | 656681 | Pbam (55) | ✔ | 16 | 118 | 3 | 0.0 | 0.000 | 0.940 | (1;100) | ✗ | 30/01/17 |
| Ca2AlPd2 | COD | 4002146 | C2/c (15) | ✔ | 10 | 118 | 3 | 0.0 | 0.000 | 0.504 | (0;011) | ✗ | 30/01/17 |
| NaV2O4 | COD | 4330682 | C2/c (15) | ✔ | 14 | 118 | 2 | 0.0 | 0.000 | 0.511 | (0;101) | ✗ | 27/01/17 |
| SbTe2F6 | COD | 4031419 | P-1 (2) | ✔ | 18 | 118 | 2 | 1.0596 | 1.284 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CdSb6(S2I)4 | ICSD | 27733 | P-1 (2) | ✔ | 19 | 118 | 1 | 1.4312 | 1.431 | 0.000 | (0;000) | ✗ | 02/02/17 |