▹ Formula | ▹ Source | ▴ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
IrCl3 | ICSD | 25716 | Fddd (70) | ✔ | 16 | 152 | 3 | 1.6687 | 1.699 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaScO2 | ICSD | 25729 | R-3m (166) | ✔ | 4 | 32 | 2 | 3.7686 | 4.439 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrSiO | ICSD | 25731 | P4/nmm (129) | ✔ | 6 | 28 | 2 | 0.0 | 0.041 | 0.027 | (0;001) | ✗ | 27/01/17 |
HfSiS | ICSD | 25735 | P4/nmm (129) | ✔ | 6 | 44 | 3 | 0.0 | 0.101 | 0.125 | (0;001) | ✗ | 27/01/17 |
HfSiSe | ICSD | 25736 | P4/nmm (129) | ✔ | 6 | 44 | 3 | 0.0 | 0.041 | 0.134 | (0;001) | ✗ | 27/01/17 |
HfSiTe | ICSD | 25737 | P4/nmm (129) | ✔ | 6 | 44 | 2 | 0.0 | 0.031 | 0.167 | (0;001) | ✗ | 27/01/17 |
HfGeSe | ICSD | 25741 | P4/nmm (129) | ✔ | 6 | 44 | 3 | 0.0 | 0.100 | 0.171 | (0;001) | ✗ | 27/01/17 |
HfGeS | ICSD | 25742 | P4/nmm (129) | ✔ | 6 | 44 | 3 | 0.0 | 0.090 | 0.146 | (0;001) | ✗ | 27/01/17 |
HfGeTe | ICSD | 25743 | P4/nmm (129) | ✔ | 6 | 44 | 3 | 0.0 | 0.042 | 0.058 | (0;001) | ✗ | 27/01/17 |
KAgO | ICSD | 25744 | I-4 (82) | ✗ | 12 | 104 | 1 | 1.4553 | 1.701 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cr3AsN | ICSD | 25760 | I4/mcm (140) | ✔ | 10 | 104 | 3 | 0.0 | 0.002 | 0.578 | (0;111) | ✗ | 05/01/17 |
RhCl3 | ICSD | 25764 | C2/m (12) | ✔ | 8 | 76 | 2 | 1.5711 | 1.663 | 0.000 | (0;000) | ✗ | 27/01/17 |
Nb2O5 | ICSD | 25765 | C2/m (12) | ✔ | 7 | 56 | 3 | 2.6685 | 3.191 | 0.000 | (0;000) | ✗ | 27/01/17 |
CdSO4 | ICSD | 25772 | Pn2_1m (31) | ✗ | 12 | 84 | 3 | 2.8065 | 3.264 | 0.000 | (0;000) | ✗ | 06/10/16 |
HgSO4 | ICSD | 25773 | Pn2_1m (31) | ✗ | 12 | 84 | 3 | 1.51 | 2.097 | 0.000 | (0;000) | ✗ | 06/10/16 |
Mn3GeC | ICSD | 25775 | I4/mcm (140) | ✔ | 10 | 106 | 3 | 0.0 | 0.000 | 0.840 | (0;000) | ✗ | 27/01/17 |
CdBr2 | ICSD | 25782 | P6_3mc (186) | ✗ | 6 | 52 | 2 | 2.6943 | 2.694 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaZnO2 | ICSD | 25812 | P3_121 (152) | ✗ | 12 | 102 | 3 | 2.4305 | 2.431 | 0.000 | (0;000) | ✗ | 06/10/16 |
NClO6 | ICSD | 25817 | C2/c (15) | ✔ | 16 | 96 | 1 | 2.1258 | 2.155 | 0.000 | (0;000) | ✗ | 02/02/17 |
ICl | ICSD | 26032 | P2_1/c (14) | ✔ | 16 | 112 | 1 | 0.0 | 0.196 | 0.034 | (0;000) | ✗ | 02/02/17 |
PCl5 | ICSD | 26048 | P4/n (85) | ✔ | 24 | 160 | 1 | 2.1286 | 2.129 | 0.000 | (0;000) | ✗ | 04/08/17 |
ZrCl4 | ICSD | 26049 | P2/c (13) | ✔ | 10 | 64 | 1 | 3.4913 | 3.573 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaMnF4 | ICSD | 26066 | Ccm2_1 (36) | ✗ | 12 | 106 | 2 | 0.0 | 0.000 | 0.946 | ? | ✗ | 06/10/16 |
BaCoF4 | ICSD | 26067 | Ccm2_1 (36) | ✗ | 12 | 94 | 2 | 0.0 | 0.000 | 0.968 | ? | ✗ | 06/10/16 |
TiCl3 | ICSD | 26070 | P3_112 (151) | ✗ | 24 | 198 | 2 | 0.0 | 0.000 | 0.883 | ? | ✗ | 04/08/17 |
Na3NiF6 | ICSD | 26073 | P2_1/c (14) | ✔ | 20 | 158 | 1 | 0.0 | 0.000 | 0.920 | (0;000) | ✗ | 02/02/17 |
TiBr2 | ICSD | 26078 | P-3m1 (164) | ✔ | 3 | 26 | 2 | 0.0 | 0.005 | 0.539 | (0;000) | ✗ | 27/01/17 |
WCl6 | ICSD | 26081 | R-3 (148) | ✔ | 7 | 56 | 1 | 1.782 | 1.845 | 0.000 | (0;000) | ✗ | 27/01/17 |
SbI3 | ICSD | 26082 | R-3 (148) | ✔ | 8 | 52 | 2 | 1.7182 | 1.827 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrCrF4 | ICSD | 26105 | I4/mcm (140) | ✔ | 12 | 104 | 1 | 0.1691 | 0.170 | 0.000 | (0;000) | ✗ | 27/01/17 |
MoCl3 | ICSD | 26109 | C2/c (15) | ✔ | 16 | 140 | 2 | 0.0 | 0.047 | 0.055 | (0;000) | ✗ | 02/02/17 |
KPO3 | ICSD | 26148 | Pnma (62) | ✔ | 20 | 128 | 1 | 4.7829 | 4.783 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdCu2GeS4 | ICSD | 26150 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.6433 | 0.644 | 0.000 | (0;000) | ✗ | 22/03/17 |
ZnCl2 | ICSD | 26152 | P4_2/nmc (137) | ✔ | 6 | 52 | 2 | 3.8088 | 3.809 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbCl4F | ICSD | 26155 | P-1 (2) | ✔ | 24 | 192 | 1 | 2.5534 | 2.559 | 0.000 | (0;000) | ✗ | 04/08/17 |
MgPdF6 | ICSD | 26163 | R-3 (148) | ✔ | 8 | 70 | 3 | 2.4552 | 2.455 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaPdF6 | ICSD | 26164 | R-3 (148) | ✔ | 8 | 70 | 1 | 2.28 | 2.280 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZnPdF6 | ICSD | 26165 | R-3 (148) | ✔ | 8 | 72 | 3 | 2.1126 | 2.113 | 0.000 | (0;000) | ✗ | 27/01/17 |
CdPdF6 | ICSD | 26166 | R-3 (148) | ✔ | 8 | 72 | 3 | 1.0151 | 1.046 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrBe3O4 | ICSD | 26179 | P-62c (190) | ✗ | 16 | 92 | 1 | 4.1894 | 4.189 | 0.000 | (0;000) | ✗ | 15/02/17 |
K2WO4 | ICSD | 26181 | C2/m (12) | ✔ | 14 | 140 | 1 | 4.4673 | 4.634 | 0.000 | (0;000) | ✗ | 11/04/17 |
Nb2Se | ICSD | 26183 | C2/m (12) | ✔ | 12 | 128 | 3 | 0.0 | 0.015 | 0.279 | (0;111) | ✗ | 02/02/17 |
Li2Sn5 | ICSD | 26200 | P4/mbm (127) | ✔ | 14 | 152 | 3 | 0.0 | 0.007 | 0.963 | (0;000) | ✗ | 02/02/17 |
Si3Ir | ICSD | 26218 | P6_3mc (186) | ✗ | 8 | 58 | 3 | 0.0 | 0.000 | 0.767 | ? | ✗ | 15/02/17 |
Li4H5Rh | ICSD | 26225 | Cmcm (63) | ✔ | 20 | 68 | 1 | 0.0 | 0.040 | 0.723 | (0;110) | ✗ | 27/01/17 |
Ba2MnSe3 | ICSD | 26230 | Pnma (62) | ✔ | 24 | 212 | 1 | 0.0 | 0.000 | 0.902 | (0;101) | ✗ | 04/08/17 |
TaSe2 | ICSD | 26249 | P6_3mc (186) | ✗ | 12 | 100 | 1 | 0.0 | 0.046 | 0.847 | ? | ✗ | 29/03/17 |
Cs2Pd3S4 | ICSD | 26250 | C2/m (12) | ✔ | 9 | 96 | 1 | 1.4138 | 1.552 | 0.000 | (0;000) | ✗ | 02/02/17 |
Nb5N6 | ICSD | 26252 | P6_3/mcm (193) | ✔ | 22 | 190 | 3 | 0.0 | 0.000 | 0.749 | (0;000) | ✗ | 04/08/17 |
K2PtS2 | ICSD | 26258 | Immm (71) | ✔ | 5 | 40 | 1 | 1.2612 | 1.793 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb2PtS2 | ICSD | 26259 | Immm (71) | ✔ | 5 | 40 | 1 | 1.3041 | 1.824 | 0.000 | (0;000) | ✗ | 27/01/17 |
Zr3(SiCu2)2 | ICSD | 26260 | P-62m (189) | ✗ | 9 | 64 | 3 | 0.0 | 0.012 | 0.272 | ? | ✗ | 06/10/16 |
SrP | ICSD | 26262 | P-62m (189) | ✗ | 12 | 90 | 1 | 0.4592 | 1.096 | 0.000 | (0;000) | ✔ | 10/04/17 |
CaAs | ICSD | 26263 | P-62m (189) | ✗ | 12 | 90 | 1 | 0.0 | 0.834 | 0.359 | (0;000) | ✔ | 21/03/17 |
SrAs | ICSD | 26264 | P-62m (189) | ✗ | 12 | 90 | 1 | 0.0 | 0.722 | 0.182 | (0;000) | ✔ | 21/03/17 |
Cs2Pt3S4 | ICSD | 26266 | Fmmm (69) | ✔ | 9 | 72 | 1 | 1.1613 | 1.421 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2Pt3S4 | ICSD | 26267 | Fmmm (69) | ✔ | 9 | 72 | 1 | 0.9917 | 1.169 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2Te3 | ICSD | 26282 | Cc (9) | ✗ | 10 | 88 | 3 | 0.0 | 0.015 | 1.000 | ? | ✗ | 29/03/17 |
LiNbS2 | ICSD | 26284 | P6_3/mmc (194) | ✔ | 8 | 56 | 2 | 0.6953 | 1.625 | 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 |
KNbS2 | ICSD | 26286 | P6_3/mmc (194) | ✔ | 8 | 68 | 2 | 0.8125 | 1.390 | 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 |
KNbSe2 | ICSD | 26288 | P6_3/mmc (194) | ✔ | 8 | 68 | 2 | 0.5237 | 1.181 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li6TeO6 | ICSD | 26297 | R-3 (148) | ✔ | 13 | 60 | 3 | 1.5553 | 1.578 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ti3NiS6 | ICSD | 26312 | R-3 (148) | ✔ | 10 | 82 | 3 | 0.0 | 0.041 | 0.153 | (1;111) | ✗ | 27/01/17 |
Ti3NiS6 | ICSD | 26313 | P-31c (163) | ✔ | 20 | 164 | 3 | 0.0 | 0.020 | 0.362 | (1;000) | ✗ | 02/02/17 |
KH2I3O | ICSD | 26338 | Pc (7) | ✗ | 14 | 76 | 1 | 1.7843 | 1.828 | 0.000 | (0;000) | ✗ | 28/03/17 |
Hg2GeO4 | ICSD | 26340 | Fddd (70) | ✔ | 14 | 104 | 3 | 1.0281 | 1.146 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb3Cu2Cl7 | ICSD | 26369 | Ccce (68) | ✔ | 24 | 196 | 2 | 0.0799 | 0.246 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ni(NF7)2 | ICSD | 26397 | I4/m (87) | ✔ | 17 | 118 | 1 | 1.8711 | 1.877 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbI3Cl8 | ICSD | 26402 | P-1 (2) | ✔ | 12 | 82 | 3 | 1.2444 | 1.285 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbI3(BrCl3)2 | ICSD | 26404 | P-1 (2) | ✔ | 12 | 82 | 1 | 1.0807 | 1.099 | 0.000 | (0;000) | ✗ | 02/02/17 |
KClO3 | ICSD | 26409 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 5.6268 | 5.635 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrI2 | ICSD | 26418 | P2_1/m (11) | ✔ | 12 | 72 | 2 | 0.2968 | 0.407 | 0.000 | (0;000) | ✗ | 02/02/17 |
MnTlI3 | ICSD | 26421 | Pnma (62) | ✔ | 20 | 196 | 2 | 0.0 | 0.000 | 0.258 | (0;011) | ✗ | 29/03/17 |
TlFeI3 | ICSD | 26423 | Pnma (62) | ✔ | 20 | 168 | 1 | 0.2199 | 0.321 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ag3SI | ICSD | 26450 | R3 (146) | ✗ | 5 | 46 | 3 | 0.4408 | 1.001 | 0.000 | (0;000) | ✔ | 28/11/16 |
CsVI3 | ICSD | 26453 | P6_3/mmc (194) | ✔ | 10 | 86 | 1 | 0.0 | 0.000 | 0.722 | (0;000) | ✗ | 02/02/17 |
LiMnP | ICSD | 26458 | P4/nmm (129) | ✔ | 6 | 46 | 2 | 0.0 | 0.000 | 0.847 | (0;001) | ✗ | 27/01/17 |
LiMnAs | ICSD | 26459 | P4/nmm (129) | ✔ | 6 | 46 | 2 | 0.0 | 0.000 | 0.824 | (0;001) | ✗ | 05/01/17 |
NaMnAs | ICSD | 26461 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.866 | (1;000) | ✗ | 05/01/17 |
S | ICSD | 26463 | Pnnm (58) | ✔ | 24 | 144 | 1 | 2.1436 | 2.304 | 0.000 | (0;000) | ✗ | 02/02/17 |
CS14 | ICSD | 26464 | R-3m (166) | ✔ | 15 | 88 | 2 | 2.3303 | 2.487 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbCl3O | ICSD | 26471 | P4_2/mnm (136) | ✔ | 20 | 160 | 2 | 2.3999 | 2.636 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ti3O5 | ICSD | 26492 | C2/m (12) | ✔ | 16 | 132 | 3 | 0.0 | 0.007 | 0.418 | (0;000) | ✗ | 29/03/17 |
AlICl6 | ICSD | 26510 | P2_1 (4) | ✗ | 16 | 104 | 2 | 2.2808 | 2.316 | 0.000 | (0;000) | ✗ | 16/03/17 |
V3S | ICSD | 26515 | I-42m (121) | ✗ | 16 | 180 | 3 | 0.0 | 0.002 | 0.642 | ? | ✗ | 29/03/17 |
CuF2 | ICSD | 26576 | P2_1/c (14) | ✔ | 6 | 50 | 3 | 0.0 | 0.000 | 0.405 | (1;001) | ✔ | 06/10/16 |
NaO2 | ICSD | 26582 | Pa3 (205) | ✔ | 12 | 84 | 1 | 0.0 | 0.000 | 0.289 | (0;111) | ✗ | 27/01/17 |
PICl6 | ICSD | 26594 | P-42_1m (113) | ✗ | 16 | 108 | 1 | 0.9841 | 1.058 | 0.000 | (0;000) | ✗ | 22/03/17 |
YF3 | ICSD | 26595 | Pnma (62) | ✔ | 16 | 128 | 3 | 7.8042 | 7.839 | 0.000 | (0;000) | ✗ | 27/01/17 |
ReSi | ICSD | 26616 | P2_13 (198) | ✗ | 8 | 76 | 3 | 0.0 | 0.000 | 0.672 | ? | ✗ | 15/02/17 |
MoS2 | ICSD | 26622 | R-3m (166) | ✔ | 3 | 26 | 2 | 0.0 | 0.053 | 0.331 | (1;111) | ✗ | 27/01/17 |
MoF3 | ICSD | 26629 | R-3c (167) | ✔ | 8 | 70 | 3 | 0.0 | 0.001 | 0.311 | (0;000) | ✗ | 27/01/17 |
CrH2 | ICSD | 26630 | Fm-3m (225) | ✔ | 3 | 16 | 3 | 0.0 | 0.003 | 0.442 | (1;000) | ✗ | 27/01/17 |
Rb2GeF6 | ICSD | 26633 | P-3m1 (164) | ✔ | 9 | 64 | 1 | 6.5704 | 6.579 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2MoCl6 | ICSD | 26643 | Fm-3m (225) | ✔ | 9 | 74 | 1 | 0.0 | 0.000 | 0.352 | (0;000) | ✗ | 02/02/17 |
MoF5 | ICSD | 26644 | C2/m (12) | ✔ | 24 | 196 | 2 | 0.0 | 0.021 | 0.270 | (0;000) | ✗ | 04/08/17 |
NbF5 | ICSD | 26647 | C2/m (12) | ✔ | 24 | 192 | 2 | 5.6485 | 5.679 | 0.000 | (0;000) | ✗ | 04/08/17 |
PoCl2 | ICSD | 26650 | Pmmm (47) | ✔ | 3 | 30 | 3 | 0.0 | 0.728 | 0.398 | (0;000) | ✗ | 06/10/16 |