| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| AlCo3C | ICSD | 43847 | Pm-3m (221) | ✔ | 5 | 58 | 3 | 0.0 | 0.000 | 0.236 | (0;111) | ✗ | 27/01/17 |
| CaMnSi | ICSD | 66949 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.851 | (0;001) | ✗ | 27/01/17 |
| CaMnSi | ICSD | 66955 | P4/nmm (129) | ✔ | 6 | 58 | 2 | 0.0 | 0.000 | 0.863 | (1;000) | ✗ | 27/01/17 |
| Sb8Te3 | ICSD | 152188 | R-3m (166) | ✔ | 11 | 58 | 0 | 0.0 | 0.076 | 0.042 | (1;111) | ✗ | 06/10/16 |
| Cd(SbO3)2 | ICSD | 71028 | P-31m (162) | ✔ | 9 | 58 | 3 | 0.9839 | 1.275 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SnP3 | COD | 1527463 | R-3m (166) | ✔ | 8 | 58 | 1 | 0.0 | 0.023 | 0.657 | (1;111) | ✗ | 27/01/17 |
| SrSnP | ICSD | 63594 | P4/nmm (129) | ✔ | 6 | 58 | 2 | 0.0 | 0.000 | 0.832 | (0;000) | ✗ | 27/01/17 |
| RbMnP | COD | 1521903 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.802 | (1;001) | ✗ | 27/01/17 |
| RbMnSb | ICSD | 41868 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.782 | (0;001) | ✗ | 27/01/17 |
| FeCl3 | COD | 9012000 | R-3 (148) | ✔ | 8 | 58 | 2 | 0.0 | 0.009 | 0.517 | (0;000) | ✗ | 27/01/17 |
| K4HgAs2 | ICSD | 402573 | R-3m (166) | ✔ | 7 | 58 | 1 | 0.7813 | 0.781 | 0.000 | (0;000) | ✗ | 30/01/17 |
| AgMoH4S4N | ICSD | 236249 | I-4 (82) | ✗ | 11 | 58 | 1 | 1.307 | 1.586 | 0.000 | (0;000) | ✗ | 15/02/17 |
| K4HgP2 | ICSD | 67263 | R-3m (166) | ✔ | 7 | 58 | 1 | 1.021 | 1.064 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Zr5Al3 | ICSD | 58236 | I4/mcm (140) | ✔ | 16 | 58 | 3 | 0.0 | 0.000 | 0.691 | (1;000) | ✗ | 30/01/17 |
| Si3Ir | ICSD | 26218 | P6_3mc (186) | ✗ | 8 | 58 | 3 | 0.0 | 0.000 | 0.767 | ? | ✗ | 15/02/17 |
| ZrNi4Sn | COD | 1523277 | F-43m (216) | ✗ | 6 | 58 | 3 | 0.0 | 0.009 | 0.298 | (0;000) | ✔ | 29/03/17 |
| CsMnSb | ICSD | 627027 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.782 | (1;001) | ✗ | 02/02/17 |
| Ge(BiTe2)2 | ICSD | 30394 | R-3m (166) | ✔ | 7 | 58 | 3 | 0.0 | 0.174 | 0.007 | (1;111) | ✗ | 02/02/17 |
| RbFeS2 | COD | 1008342 | C2/c (15) | ✔ | 8 | 58 | 1 | 0.0 | 0.000 | 0.270 | (1;101) | ✗ | 02/02/17 |
| RbFeSe2 | ICSD | 633210 | C2/c (15) | ✔ | 8 | 58 | 1 | 0.0 | 0.000 | 0.372 | (1;011) | ✗ | 02/02/17 |
| K4CdP2 | ICSD | 61084 | R-3m (166) | ✔ | 7 | 58 | 1 | 0.89 | 0.963 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K4ZnAs2 | COD | 8102969 | R-3m (166) | ✔ | 7 | 58 | 1 | 0.7611 | 0.761 | 0.000 | (0;000) | ✗ | 30/01/17 |
| VH6(OF)3 | ICSD | 69571 | R3m (160) | ✗ | 13 | 58 | 1 | 0.0 | 0.000 | 0.289 | (0;000) | ✔ | 15/02/17 |
| CsFeS2 | ICSD | 53234 | Immm (71) | ✔ | 8 | 58 | 1 | 0.0 | 0.002 | 0.010 | (0;111) | ✗ | 02/02/17 |
| FeCu2GeSe4 | ICSD | 627313 | I-42m (121) | ✗ | 8 | 58 | 3 | 0.0 | 0.007 | 0.513 | ? | ✗ | 15/02/17 |
| Na4CdP2 | ICSD | 67262 | R-3m (166) | ✔ | 7 | 58 | 1 | 0.2097 | 0.314 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Al5Mo | COD | 1522874 | P6_322 (182) | ✗ | 12 | 58 | 3 | 0.0 | 0.001 | 0.816 | ? | ✗ | 15/02/17 |
| HgH4C2(N2Cl)2 | ICSD | 405834 | P1 (1) | ✗ | 13 | 58 | 2 | 2.994 | 3.054 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Te(NCl3)2 | COD | 9016366 | Fm-3m (225) | ✔ | 9 | 58 | 2 | 0.0 | 0.003 | 0.652 | (0;000) | ✗ | 02/02/17 |
| Cs2CdCl4 | COD | 2310671 | I4/mmm (139) | ✔ | 7 | 58 | 2 | 3.4013 | 3.913 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li7Ge2 | ICSD | 42063 | Cmmm (65) | ✔ | 18 | 58 | 1 | 0.0 | 0.014 | 0.639 | (0;000) | ✗ | 02/02/17 |
| Se(NCl3)2 | COD | 9016312 | Fm-3m (225) | ✔ | 9 | 58 | 1 | 0.0 | 0.000 | 0.420 | (1;000) | ✗ | 02/02/17 |
| HgH3IO6 | COD | 8100888 | P1 (1) | ✗ | 11 | 58 | 3 | 1.1757 | 1.205 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Al5W | ICSD | 58206 | P6_322 (182) | ✗ | 12 | 58 | 3 | 0.0 | 0.000 | 0.822 | ? | ✗ | 15/02/17 |
| Rb2CdCl4 | ICSD | 51168 | I4/mmm (139) | ✔ | 7 | 58 | 2 | 3.2651 | 3.747 | 0.000 | (0;000) | ✗ | 02/02/17 |
| H5C3BrN | COD | 7101076 | P-1 (2) | ✔ | 20 | 58 | 1 | 2.9198 | 2.977 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KFeSe2 | ICSD | 40780 | C2/c (15) | ✔ | 8 | 58 | 1 | 0.0 | 0.000 | 0.500 | (1;101) | ✗ | 02/02/17 |
| Se(Br3N)2 | COD | 9015666 | Fm-3m (225) | ✔ | 9 | 58 | 1 | 0.0 | 0.012 | 0.593 | (0;000) | ✗ | 02/02/17 |
| FeCu2GeS4 | COD | 9012061 | I-42m (121) | ✗ | 8 | 58 | 3 | 0.0 | 0.007 | 0.602 | ? | ✗ | 15/02/17 |
| K4ZnP2 | ICSD | 67261 | R-3m (166) | ✔ | 7 | 58 | 1 | 0.952 | 1.023 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbFeS2 | ICSD | 633207 | Immm (71) | ✔ | 8 | 58 | 1 | 0.0 | 0.018 | 0.069 | (0;111) | ✗ | 02/02/17 |
| Fe3N | COD | 1011217 | P6_322 (182) | ✗ | 8 | 58 | 3 | 0.0 | 0.000 | 0.743 | ? | ✗ | 15/02/17 |
| FeSi(CuSe2)2 | ICSD | 627368 | I-42m (121) | ✗ | 8 | 58 | 3 | 0.0 | 0.002 | 0.633 | ? | ✗ | 15/02/17 |
| Zr5Al3 | ICSD | 609718 | P6_3/mcm (193) | ✔ | 16 | 58 | 3 | 0.0 | 0.000 | 0.949 | (1;000) | ✗ | 30/01/17 |
| LiAlAs2O7 | ICSD | 161498 | C2 (5) | ✗ | 11 | 58 | 3 | 3.8176 | 3.895 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Ge3(Te3As)2 | ICSD | 68113 | R-3m (166) | ✔ | 11 | 58 | 2 | 0.0423 | 0.110 | 0.000 | (0;000) | ✗ | 21/03/17 |
| K4CdAs2 | COD | 1008853 | R-3m (166) | ✔ | 7 | 58 | 1 | 0.6689 | 0.691 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Sb2MoS | ICSD | 412092 | C2/m (12) | ✔ | 8 | 60 | 3 | 0.0 | 0.016 | 0.891 | (0;001) | ✗ | 10/08/17 |
| K2LiAlH6 | ICSD | 245318 | R-3m (166) | ✔ | 20 | 60 | 1 | 2.586 | 2.909 | 0.000 | (0;000) | ✗ | 30/01/17 |
| LiCo(CO)4 | ICSD | 30854 | P-43m (215) | ✗ | 10 | 60 | 3 | 4.0417 | 4.042 | 0.000 | (0;000) | ✗ | 15/02/17 |
| H5C2NO2 | COD | 2201044 | P2_1 (4) | ✗ | 20 | 60 | 1 | 5.21 | 5.309 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Y3Al3NiGe2 | ICSD | 76297 | P-62m (189) | ✗ | 9 | 60 | 3 | 0.0 | 0.000 | 0.624 | ? | ✗ | 15/02/17 |
| Al(NF2)3 | COD | 9014698 | F-43m (216) | ✗ | 10 | 60 | 1 | 0.0 | 0.000 | 0.714 | ? | ✗ | 15/02/17 |
| Mg(BrO3)2 | COD | 9015252 | C2/m (12) | ✔ | 9 | 60 | 1 | 0.0 | 0.007 | 0.663 | (0;000) | ✗ | 02/02/17 |
| Li6PClO5 | ICSD | 421479 | F-43m (216) | ✗ | 13 | 60 | 1 | 5.5125 | 5.513 | 0.000 | (0;000) | ✗ | 15/02/17 |
| ZrCu | ICSD | 167598 | Cm (8) | ✗ | 8 | 60 | 3 | 0.0 | 0.005 | 0.600 | ? | ✗ | 15/02/17 |
| Ti(NCl)4 | COD | 9015114 | I4/mmm (139) | ✔ | 9 | 60 | 1 | 0.0 | 0.001 | 0.840 | (1;000) | ✗ | 02/02/17 |
| Cs2CrCl4 | ICSD | 41571 | I4/mmm (139) | ✔ | 7 | 60 | 2 | 0.0 | 0.035 | 0.779 | (0;000) | ✗ | 02/02/17 |
| Ti3Te4 | ICSD | 653076 | C2/m (12) | ✔ | 7 | 60 | 3 | 0.0 | 0.021 | 0.318 | (0;110) | ✗ | 27/01/17 |
| K2Si2Pb2O | ICSD | 77382 | P6/mmm (191) | ✔ | 7 | 60 | 2 | 0.0 | 0.006 | 0.472 | (0;000) | ✗ | 02/02/17 |
| Rb2CrCl4 | ICSD | 41570 | I4/mmm (139) | ✔ | 7 | 60 | 2 | 0.0 | 0.033 | 0.773 | (0;000) | ✗ | 02/02/17 |
| Te2AuI | COD | 1510184 | Pmma (51) | ✔ | 8 | 60 | 3 | 0.0 | 0.059 | 0.239 | (1;010) | ✗ | 02/02/17 |
| Te2AuCl | COD | 1510090 | Cmcm (63) | ✔ | 8 | 60 | 2 | 0.0 | 0.013 | 0.259 | (1;110) | ✗ | 30/01/17 |
| Al2W | COD | 1528542 | P6_422 (181) | ✗ | 9 | 60 | 3 | 0.0 | 0.001 | 0.529 | ? | ✗ | 15/02/17 |
| CaMgNi4 | ICSD | 107419 | F-43m (216) | ✗ | 6 | 60 | 3 | 0.0 | 0.002 | 0.744 | ? | ✗ | 15/02/17 |
| CaFeO2 | ICSD | 246244 | P-42_1m (113) | ✗ | 8 | 60 | 1 | 0.0 | 0.001 | 0.641 | ? | ✗ | 15/02/17 |
| Mg(ClO3)2 | COD | 9014683 | C2/m (12) | ✔ | 9 | 60 | 1 | 0.0 | 0.007 | 0.584 | (0;000) | ✗ | 02/02/17 |
| KAg2SbS4 | ICSD | 82143 | I-42m (121) | ✗ | 8 | 60 | 3 | 0.2812 | 1.172 | 0.000 | (0;000) | ✔ | 16/03/17 |
| KAg2PS4 | ICSD | 420033 | I-42m (121) | ✗ | 8 | 60 | 3 | 1.0995 | 1.796 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Mn2GaCo | ICSD | 160704 | F-43m (216) | ✗ | 4 | 60 | 3 | 0.0 | 0.001 | 0.756 | ? | ✗ | 15/02/17 |
| BaAg2GeSe4 | ICSD | 411405 | I222 (23) | ✗ | 8 | 60 | 3 | 0.0 | 0.402 | 0.044 | (0;000) | ✔ | 16/03/17 |
| CsTe | ICSD | 83351 | Pbam (55) | ✔ | 8 | 60 | 1 | 0.9969 | 1.077 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaGe5 | COD | 4341884 | Imma (74) | ✔ | 12 | 60 | 1 | 0.0 | 0.013 | 0.886 | (0;111) | ✗ | 02/02/17 |
| LiBiO2 | ICSD | 25385 | P4/nmm (129) | ✔ | 8 | 60 | 2 | 0.6159 | 0.618 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ta2Si | ICSD | 652302 | I4/mcm (140) | ✔ | 6 | 60 | 3 | 0.0 | 0.075 | 0.341 | (1;000) | ✗ | 27/01/17 |
| Ti3Se4 | ICSD | 652044 | C2/m (12) | ✔ | 7 | 60 | 3 | 0.0 | 0.014 | 0.422 | (0;111) | ✗ | 27/01/17 |
| BH2CO | ICSD | 9561 | C2/c (15) | ✔ | 20 | 60 | 1 | 1.1303 | 1.130 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ru(N3Cl)2 | COD | 9014997 | Fm-3m (225) | ✔ | 9 | 60 | 1 | 0.0 | 0.001 | 0.452 | (0;000) | ✗ | 02/02/17 |
| HC | COD | 4501704 | P2_1/c (14) | ✔ | 24 | 60 | 1 | 4.4352 | 4.498 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KAg2AsO4 | COD | 8100228 | I-42m (121) | ✗ | 8 | 60 | 3 | 0.2946 | 1.061 | 0.000 | (0;000) | ✔ | 16/03/17 |
| ZrV2 | COD | 1527368 | Fd-3m (227) | ✔ | 6 | 60 | 3 | 0.0 | 0.000 | 0.683 | (0;000) | ✗ | 27/01/17 |
| Mn2InCo | ICSD | 160705 | F-43m (216) | ✗ | 4 | 60 | 3 | 0.0 | 0.010 | 0.731 | ? | ✗ | 15/02/17 |
| H6Pt(NO)4 | ICSD | 420292 | C2 (5) | ✗ | 15 | 60 | 1 | 2.1195 | 2.120 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Rb2CrCl4 | ICSD | 47129 | I4/mmm (139) | ✔ | 7 | 60 | 2 | 0.0 | 0.012 | 0.220 | (0;000) | ✗ | 02/02/17 |
| KTe | ICSD | 73174 | P6_3/mmc (194) | ✔ | 8 | 60 | 1 | 0.4835 | 0.484 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NbTlBr4O | ICSD | 415203 | C2 (5) | ✗ | 7 | 60 | 1 | 1.1356 | 1.469 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Rb2CrCl4 | COD | 1533153 | I4/mmm (139) | ✔ | 7 | 60 | 1 | 0.0 | 0.008 | 0.180 | (1;111) | ✗ | 02/02/17 |
| BaAg2GeS4 | ICSD | 10040 | I-42m (121) | ✗ | 8 | 60 | 3 | 0.5735 | 1.186 | 0.000 | (0;000) | ✗ | 16/03/17 |
| YAl3 | ICSD | 609658 | R-3m (166) | ✔ | 12 | 60 | 3 | 0.0 | 0.007 | 0.516 | (1;000) | ✗ | 30/01/17 |
| H5C2N2Cl | COD | 7203167 | P2_1 (4) | ✗ | 20 | 60 | 1 | 4.3968 | 4.400 | 0.000 | (0;000) | ✗ | 21/03/17 |
| W2C | ICSD | 619097 | P-3m1 (164) | ✔ | 3 | 60 | 3 | 0.0 | 0.098 | 0.530 | (0;000) | ✗ | 11/04/17 |
| Li6PBrO5 | ICSD | 421480 | F-43m (216) | ✗ | 13 | 60 | 1 | 5.4171 | 5.417 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NaSe | ICSD | 43408 | P6_3/mmc (194) | ✔ | 8 | 60 | 1 | 0.5859 | 0.586 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HfTe3 | ICSD | 638962 | P2_1/m (11) | ✔ | 8 | 60 | 2 | 0.0 | 0.062 | 0.374 | (0;000) | ✗ | 02/02/17 |
| Mn2SnRu | ICSD | 182829 | F-43m (216) | ✗ | 4 | 60 | 3 | 0.0 | 0.004 | 0.772 | ? | ✗ | 15/02/17 |
| Sr(InHg)2 | ICSD | 427211 | I4/mmm (139) | ✔ | 5 | 60 | 3 | 0.0 | 0.032 | 0.716 | (1;000) | ✗ | 27/01/17 |
| KCoO2 | ICSD | 4199 | I-42d (122) | ✗ | 8 | 60 | 3 | 0.0 | 0.000 | 0.160 | (0;000) | ✔ | 07/10/16 |
| LiCu2P | ICSD | 628282 | P-3m1 (164) | ✔ | 8 | 60 | 2 | 0.0 | 0.001 | 0.184 | (1;000) | ✗ | 27/01/17 |
| TiB | ICSD | 189386 | Pmnb (62) | ✔ | 8 | 60 | 3 | 0.0 | 0.000 | 0.817 | (0;011) | ✗ | 06/10/16 |
| Sb2PbO6 | ICSD | 16852 | P-31m (162) | ✔ | 9 | 60 | 3 | 2.242 | 2.378 | 0.000 | (0;000) | ✗ | 06/10/16 |