▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BaSe3 | ICSD | 16359 | P-42_1m (113) | ✗ | 8 | 56 | 1 | 0.9646 | 1.065 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr(PPd)2 | ICSD | 36373 | I4/mmm (139) | ✔ | 5 | 56 | 2 | 0.0 | 0.055 | 0.807 | (1;000) | ✗ | 27/01/17 |
BaTe3 | ICSD | 36366 | P-42_1m (113) | ✗ | 8 | 56 | 1 | 0.719 | 0.730 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsFeO2 | ICSD | 421173 | Fd-3m (227) | ✔ | 8 | 58 | 3 | 0.0 | 0.000 | 0.275 | (0;000) | ✗ | 27/01/17 |
YNiGe2 | ICSD | 637438 | Cmcm (63) | ✔ | 8 | 58 | 3 | 0.0 | 0.000 | 0.874 | (1;110) | ✗ | 27/01/17 |
MnF2 | COD | 9009076 | P4_2/mnm (136) | ✔ | 6 | 58 | 3 | 0.0 | 0.000 | 0.647 | (0;000) | ✗ | 27/01/17 |
Ga2FeSe4 | ICSD | 631817 | P-42m (111) | ✗ | 7 | 58 | 3 | 0.0 | 0.005 | 0.476 | (1;010) | ✔ | 07/10/16 |
KFeS2 | COD | 1008340 | C2/c (15) | ✔ | 8 | 58 | 1 | 0.0 | 0.000 | 0.278 | (1;101) | ✗ | 27/01/17 |
Zr3Co | COD | 1524752 | Cmcm (63) | ✔ | 8 | 58 | 3 | 0.0 | 0.000 | 0.851 | (1;000) | ✗ | 27/01/17 |
Hf2Bi | ICSD | 168286 | C2/m (12) | ✔ | 6 | 58 | 3 | 0.0 | 0.030 | 0.460 | (0;110) | ✗ | 06/10/16 |
Sr2MoO4 | ICSD | 152123 | I4/mmm (139) | ✔ | 7 | 58 | 3 | 0.0 | 0.050 | 0.763 | (0;000) | ✗ | 27/01/17 |
TlAg3Te2 | COD | 2105385 | Cmmm (65) | ✔ | 6 | 58 | 3 | 0.0 | 0.086 | 0.463 | (1;000) | ✗ | 05/01/17 |
Rb2HgF4 | ICSD | 72352 | I4/mmm (139) | ✔ | 7 | 58 | 2 | 1.7196 | 3.330 | 0.000 | (0;000) | ✗ | 27/01/17 |
RhO2 | ICSD | 647367 | P4_2/mnm (136) | ✔ | 6 | 58 | 3 | 0.0 | 0.000 | 0.664 | (0;000) | ✗ | 27/01/17 |
K2ZnF4 | COD | 8103552 | I4/mmm (139) | ✔ | 7 | 58 | 2 | 4.3258 | 5.758 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr2CrO4 | ICSD | 245595 | I4/mmm (139) | ✔ | 7 | 58 | 2 | 0.0 | 0.021 | 0.786 | (0;000) | ✗ | 27/01/17 |
HfVGe | ICSD | 88211 | I4/mmm (139) | ✔ | 6 | 58 | 3 | 0.0 | 0.014 | 0.715 | (0;111) | ✗ | 27/01/17 |
V2FeS4 | ICSD | 633355 | C2/m (12) | ✔ | 7 | 58 | 3 | 0.0 | 0.012 | 0.444 | (0;000) | ✗ | 27/01/17 |
Al3Pt2 | ICSD | 58134 | P-3m1 (164) | ✔ | 10 | 58 | 3 | 0.0 | 0.011 | 0.797 | (0;001) | ✗ | 05/01/17 |
Al5Mo | COD | 1522873 | R-3c (167) | ✔ | 12 | 58 | 3 | 0.0 | 0.000 | 0.712 | (0;111) | ✗ | 05/01/17 |
HfVGe | ICSD | 636594 | P4/nmm (129) | ✔ | 6 | 58 | 3 | 0.0 | 0.000 | 0.821 | (0;000) | ✗ | 27/01/17 |
Ti2NiS4 | ICSD | 646394 | C2/m (12) | ✔ | 7 | 58 | 3 | 0.0 | 0.006 | 0.362 | (1;111) | ✗ | 27/01/17 |
AlPPt5 | ICSD | 609024 | P4/mmm (123) | ✔ | 7 | 58 | 3 | 0.0 | 0.014 | 0.471 | (1;000) | ✗ | 05/01/17 |
FeBr3 | ICSD | 410924 | R-3 (148) | ✔ | 8 | 58 | 2 | 0.0 | 0.010 | 0.479 | (0;000) | ✗ | 02/02/17 |
FeBr3 | ICSD | 76421 | R-3 (148) | ✔ | 8 | 58 | 2 | 0.0 | 0.026 | 0.272 | (0;000) | ✗ | 06/10/16 |
Na2Ti2Sb2O | ICSD | 91204 | I4/mmm (139) | ✔ | 7 | 58 | 1 | 0.0 | 0.019 | 0.592 | (0;000) | ✗ | 27/01/17 |
MnGa2Co | COD | 1525264 | Fm-3m (225) | ✔ | 4 | 58 | 3 | 0.0 | 0.000 | 0.845 | (0;000) | ✗ | 27/01/17 |
Cd(AsO3)2 | COD | 9007893 | P-31m (162) | ✔ | 9 | 58 | 3 | 2.5174 | 2.843 | 0.000 | (0;000) | ✗ | 05/01/17 |
Hg(AsO3)2 | COD | 8101392 | P-31m (162) | ✔ | 9 | 58 | 3 | 0.9726 | 1.700 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ge3(BiTe3)2 | ICSD | 658931 | R3m (160) | ✗ | 11 | 58 | 2 | 0.0 | 0.040 | 0.226 | ? | ✗ | 06/10/16 |
CsMnAs | ICSD | 40572 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.833 | (1;001) | ✗ | 05/01/17 |
CrAu4 | ICSD | 611737 | I4/m (87) | ✔ | 5 | 58 | 3 | 0.0 | 0.001 | 0.459 | (0;111) | ✗ | 05/01/17 |
IrO2 | COD | 5910069 | P4_2/mnm (136) | ✔ | 6 | 58 | 3 | 0.0 | 0.000 | 0.597 | (0;000) | ✗ | 27/01/17 |
KMnAs | ICSD | 60743 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.833 | (1;000) | ✗ | 05/01/17 |
NaMnAs | ICSD | 26461 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.866 | (1;000) | ✗ | 05/01/17 |
RbMnAs | COD | 1521904 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.838 | (0;000) | ✗ | 05/01/17 |
FeCl3 | ICSD | 151400 | R-3 (148) | ✔ | 8 | 58 | 2 | 0.0 | 0.026 | 0.296 | (0;000) | ✗ | 06/10/16 |
Si3Ir | ICSD | 43418 | P6_3/mmc (194) | ✔ | 8 | 58 | 3 | 0.0 | 0.000 | 0.780 | (0;000) | ✗ | 27/01/17 |
CsMnP | COD | 1521905 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.806 | (1;001) | ✗ | 27/01/17 |
Ti2NiSe4 | ICSD | 646544 | C2/m (12) | ✔ | 7 | 58 | 3 | 0.0 | 0.023 | 0.398 | (0;111) | ✗ | 27/01/17 |
Te2Ir | COD | 1526500 | P4_2/mnm (136) | ✔ | 6 | 58 | 3 | 0.0 | 0.000 | 0.870 | (0;111) | ✗ | 27/01/17 |
MgMnGe | ICSD | 66953 | P4/nmm (129) | ✔ | 6 | 58 | 2 | 0.0 | 0.000 | 0.852 | (1;000) | ✗ | 27/01/17 |
Na2Au | COD | 1510247 | I4/mcm (140) | ✔ | 6 | 58 | 1 | 0.0 | 0.003 | 0.723 | (1;000) | ✗ | 05/01/17 |
Na4HgP2 | ICSD | 67260 | R-3m (166) | ✔ | 7 | 58 | 1 | 0.9525 | 1.103 | 0.000 | (0;000) | ✗ | 27/01/17 |
YTe3 | ICSD | 653175 | Cmcm (63) | ✔ | 8 | 58 | 2 | 0.0 | 0.000 | 0.971 | (1;000) | ✗ | 02/02/17 |
MgMnGe | ICSD | 66948 | P4/nmm (129) | ✔ | 6 | 58 | 3 | 0.0 | 0.000 | 0.890 | (0;001) | ✗ | 27/01/17 |
V2H2O5 | ICSD | 260368 | C2/m (12) | ✔ | 9 | 58 | 3 | 0.0 | 0.002 | 0.176 | (0;000) | ✗ | 27/01/17 |
NiSnRh2 | COD | 1522972 | Fm-3m (225) | ✔ | 4 | 58 | 3 | 0.0 | 0.014 | 0.633 | (0;000) | ✗ | 27/01/17 |
Cs2HgF4 | ICSD | 72353 | I4/mmm (139) | ✔ | 7 | 58 | 2 | 2.1116 | 3.524 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs3LiCl4 | ICSD | 245969 | Cm2m (38) | ✗ | 8 | 58 | 1 | 4.5309 | 4.531 | 0.000 | (0;000) | ✗ | 28/10/16 |
Mn2SnW | COD | 1523150 | Fm-3m (225) | ✔ | 4 | 58 | 3 | 0.0 | 0.037 | 0.237 | (1;000) | ✗ | 27/01/17 |
Ba2PbO4 | ICSD | 27113 | I4/mmm (139) | ✔ | 7 | 58 | 2 | 1.7811 | 2.445 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2SnO4 | ICSD | 27115 | I4/mmm (139) | ✔ | 7 | 58 | 2 | 2.9448 | 3.211 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba3ZnN2O | ICSD | 55536 | P4/mmm (123) | ✔ | 7 | 58 | 1 | 0.3269 | 0.327 | 0.000 | (0;000) | ✗ | 05/01/17 |
NaPt2 | COD | 2020042 | Fd-3m (227) | ✔ | 6 | 58 | 3 | 0.0 | 0.000 | 0.684 | (0;000) | ✗ | 27/01/17 |
MnSiNi | ICSD | 108590 | P6_3/mmc (194) | ✔ | 6 | 58 | 3 | 0.0 | 0.000 | 0.965 | (0;000) | ✗ | 27/01/17 |
BaMnGe | ICSD | 615891 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.816 | (0;000) | ✗ | 05/01/17 |
BaMnGe | COD | 9008362 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.812 | (0;001) | ✗ | 05/01/17 |
BaMn2O3 | COD | 2002227 | Immm (71) | ✔ | 6 | 58 | 3 | 0.0 | 0.018 | 0.450 | (0;000) | ✗ | 05/01/17 |
HfVSi | ICSD | 638931 | P4/nmm (129) | ✔ | 6 | 58 | 3 | 0.0 | 0.000 | 0.815 | (0;000) | ✗ | 27/01/17 |
MnNiGe | ICSD | 637011 | P6_3/mmc (194) | ✔ | 6 | 58 | 3 | 0.0 | 0.000 | 0.778 | (1;000) | ✗ | 27/01/17 |
Zr3Co | ICSD | 625670 | P6_3/mmc (194) | ✔ | 8 | 58 | 3 | 0.0 | 0.000 | 0.801 | (1;000) | ✗ | 27/01/17 |
SrMnGe | COD | 9008360 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.830 | (1;000) | ✗ | 27/01/17 |
KMnP | COD | 1521902 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.821 | (1;000) | ✗ | 27/01/17 |
NiHg4 | ICSD | 151197 | Im-3m (229) | ✔ | 5 | 58 | 3 | 0.0 | 0.120 | 0.417 | (0;000) | ✗ | 27/01/17 |
Hg4Pt | ICSD | 639148 | Im-3m (229) | ✔ | 5 | 58 | 3 | 0.0 | 0.659 | 0.309 | (0;000) | ✗ | 27/01/17 |
LiNbF6 | ICSD | 165202 | R-3 (148) | ✔ | 8 | 58 | 1 | 6.0507 | 6.055 | 0.000 | (0;000) | ✗ | 27/01/17 |
KMnSb | COD | 1521901 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.824 | (1;000) | ✗ | 27/01/17 |
Zr6Ga2Fe | ICSD | 631856 | P-62m (189) | ✗ | 9 | 58 | 3 | 0.0 | 0.000 | 0.879 | ? | ✗ | 06/10/16 |
NaFeS2 | ICSD | 37026 | I222 (23) | ✗ | 8 | 58 | 1 | 0.0 | 0.010 | 0.239 | (0;000) | ✔ | 06/10/16 |
SrMnGe | ICSD | 66960 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.761 | (0;000) | ✗ | 27/01/17 |
Be12Pt | ICSD | 109315 | I4/mmm (139) | ✔ | 13 | 58 | 1 | 0.0 | 0.029 | 0.440 | (1;000) | ✗ | 05/01/17 |
MnNiGe | ICSD | 637029 | P6_3/mmc (194) | ✔ | 6 | 58 | 3 | 0.0 | 0.000 | 0.712 | (1;000) | ✗ | 27/01/17 |
Li2H6PtO6 | ICSD | 251041 | P-3 (147) | ✔ | 15 | 58 | 1 | 2.847 | 2.876 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiTaF6 | ICSD | 165205 | R-3 (148) | ✔ | 8 | 58 | 1 | 6.9064 | 6.906 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeBO3 | COD | 1511131 | R-3c (167) | ✔ | 10 | 58 | 3 | 0.0 | 0.001 | 0.646 | (0;000) | ✗ | 05/01/17 |
Sr2SnO4 | ICSD | 150388 | I4/mmm (139) | ✔ | 7 | 58 | 2 | 2.8857 | 3.258 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsBrF6 | ICSD | 65712 | R-3 (148) | ✔ | 8 | 58 | 1 | 4.0018 | 4.002 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrBRh3 | ICSD | 615353 | Pm-3m (221) | ✔ | 5 | 58 | 3 | 0.0 | 0.000 | 0.110 | (0;111) | ✗ | 27/01/17 |
CoSe2 | ICSD | 42540 | Pnnm (58) | ✔ | 6 | 58 | 3 | 0.0 | 0.000 | 0.810 | (0;000) | ✗ | 27/01/17 |
Ta2B | COD | 1511330 | I4/mcm (140) | ✔ | 6 | 58 | 3 | 0.0 | 0.000 | 0.603 | (0;111) | ✗ | 27/01/17 |
NaMnSb | ICSD | 60734 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.867 | (1;000) | ✗ | 27/01/17 |
Ta4O | ICSD | 76022 | Pmmm (47) | ✔ | 5 | 58 | 3 | 0.0 | 0.040 | 0.441 | (0;111) | ✗ | 27/01/17 |
Cs(CO)2 | ICSD | 154357 | C2/m (12) | ✔ | 10 | 58 | 1 | 2.7093 | 2.798 | 0.000 | (0;000) | ✗ | 27/01/17 |
H4C2NO2 | ICSD | 172054 | C2/m (12) | ✔ | 18 | 58 | 1 | 2.951 | 2.996 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScNiC2 | ICSD | 618562 | P4/nmm (129) | ✔ | 8 | 58 | 3 | 0.0 | 0.000 | 0.711 | (0;000) | ✗ | 27/01/17 |
Rb(CO)2 | ICSD | 154356 | C2/m (12) | ✔ | 10 | 58 | 1 | 2.7302 | 2.822 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrTiF6 | COD | 1532187 | Fm-3m (225) | ✔ | 8 | 58 | 3 | 0.0 | 0.000 | 0.676 | (0;000) | ✗ | 27/01/17 |
Ga2FeS4 | COD | 1524268 | P-3m1 (164) | ✔ | 7 | 58 | 2 | 0.2722 | 0.428 | 0.000 | (0;000) | ✗ | 27/01/17 |
H5C3NCl | COD | 7101077 | P-1 (2) | ✔ | 20 | 58 | 1 | 3.3502 | 3.410 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiMoO2 | ICSD | 165326 | C2/m (12) | ✔ | 8 | 58 | 2 | 0.0 | 0.023 | 0.825 | (0;111) | ✗ | 27/01/17 |
CoTe2 | COD | 9009790 | Pnnm (58) | ✔ | 6 | 58 | 3 | 0.0 | 0.000 | 0.790 | (0;000) | ✗ | 27/01/17 |
YPd | ICSD | 169021 | Cmcm (63) | ✔ | 4 | 58 | 3 | 0.0 | 0.000 | 0.814 | (0;110) | ✗ | 27/01/17 |
Na5LiN2 | ICSD | 92315 | C2 (5) | ✗ | 8 | 58 | 1 | 0.0 | 0.017 | 0.003 | (1;000) | ✔ | 06/10/16 |
NaMnP | ICSD | 60728 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.869 | (1;000) | ✗ | 27/01/17 |
Na5LiN2 | ICSD | 92316 | P1 (1) | ✗ | 8 | 58 | 3 | 0.0 | 0.039 | 0.116 | (0;000) | ✔ | 06/10/16 |
CaMnGe | ICSD | 66957 | P4/nmm (129) | ✔ | 6 | 58 | 2 | 0.0 | 0.000 | 0.865 | (1;000) | ✗ | 27/01/17 |
CaMnGe | COD | 9008361 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.847 | (0;000) | ✗ | 27/01/17 |
FeF3 | COD | 2100650 | R-3c (167) | ✔ | 8 | 58 | 3 | 0.0 | 0.001 | 0.309 | (0;000) | ✗ | 27/01/17 |
ZrNi2Sb | ICSD | 162586 | P6_3/mmc (194) | ✔ | 8 | 58 | 3 | 0.0 | 0.000 | 0.882 | (0;000) | ✗ | 27/01/17 |