≤nAtoms≤
≤nElements≤
Space Group:
≤ Gap ≤
≤ Dir. Gap ≤
≤ Met. ≤
Formula
Composition
01ν2ν3)
Source ID

13628 materials founds

Formula Source ID space group centered nat ne dim gap dir. gap met. ν wcc updated
LiHO2 ICSD 27761 C2/m (12) 8 32 1 0.0 0.008 0.718 (1;111) 27/01/17
Ba2Hg ICSD 30084 I4/mmm (139) 3 32 2 0.0 0.044 0.609 (0;111) 05/01/17
Ba2Zn ICSD 616175 I4/mmm (139) 3 32 1 0.0 0.006 0.537 (0;111) 05/01/17
NaYS2 COD 2019542 R-3m (166) 4 32 2 2.241 3.060 0.000 (0;000) 27/01/17
NiS ICSD 42493 P6_3mc (186) 4 32 0 0.0 0.001 0.296 (0;000) 06/10/16
BaAu2 COD 1510358 P6/mmm (191) 3 32 2 0.0 0.089 0.386 (1;000) 05/01/17
LiCoO2 COD 4505482 R-3m (166) 4 32 2 1.0657 1.109 0.000 (0;000) 27/01/17
Li2BiAu COD 1510601 F-43m (216) 4 32 3 0.0 0.000 0.249 (1;000) 15/02/17
GeO2 ICSD 158598 Pmnn (58) 6 32 3 3.2329 3.286 0.000 (0;000) 06/10/16
Ba2BrN ICSD 262056 R-3m (166) 4 32 1 0.9748 0.975 0.000 (0;000) 05/01/17
BC2N ICSD 191803 C2/m (12) 8 32 3 0.0 0.005 0.202 (0;111) 06/10/16
Ba2Cd ICSD 30083 I4/mmm (139) 3 32 1 0.0 0.006 0.590 (0;111) 05/01/17
LaGa ICSD 423623 Cmcm (63) 4 32 3 0.0 0.008 0.299 (1;000) 06/10/16
NbB COD 1511254 Cmcm (63) 4 32 3 0.0 0.024 0.365 (1;000) 27/01/17
YN ICSD 161078 P6_3mc (186) 4 32 3 2.4206 2.723 0.000 (0;000) 06/10/16
Ru COD 1512537 P6_3/mmc (194) 2 32 3 0.0 0.008 0.578 (0;000) 27/01/17
SiS2 COD 1010409 Ibam (72) 6 32 1 2.6018 2.896 0.000 (0;000) 27/01/17
B9N COD 1525095 I4/mmm (139) 10 32 1 0.0 0.001 0.538 (0;111) 05/01/17
CsBeH3 COD 4343938 P2_1/m (11) 10 32 1 3.2267 3.555 0.000 (0;000) 02/02/17
AlPO4 ICSD 162670 I-4m2 (119) 6 32 1 0.0 0.004 0.252 (1;111) 07/10/16
CO2 ICSD 188890 I-42d (122) 6 32 3 7.0217 7.119 0.000 (0;000) 06/10/16
AlPO4 ICSD 159273 P2/m (10) 6 32 3 4.6119 4.623 0.000 (0;000) 05/01/17
NaCuO2 COD 1529687 C2/m (12) 4 32 2 0.5401 0.941 0.000 (0;000) 27/01/17
MnRh COD 1522186 Pm-3m (221) 2 32 3 0.0 0.027 0.490 (0;000) 27/01/17
RbScS2 COD 2020008 R-3m (166) 4 32 2 1.7063 2.455 0.000 (0;000) 27/01/17
Na3As COD 1008538 Fm-3m (225) 4 32 1 0.5854 0.585 0.000 (0;000) 05/01/17
Ba2NCl ICSD 262051 R-3m (166) 4 32 1 0.9986 0.999 0.000 (0;000) 05/01/17
SrHfN2 ICSD 82538 R-3m (166) 4 32 2 0.3566 0.857 0.000 (0;000) 27/01/17
RbYS2 COD 2105804 R-3m (166) 4 32 2 2.2654 2.916 0.000 (0;000) 27/01/17
BC2N ICSD 191802 P1 (1) 8 32 3 0.1899 0.191 0.000 (0;000) 06/10/16
ZrCd ICSD 620612 P4/nmm (129) 4 32 3 0.0 0.007 0.244 (0;000) 27/01/17
MgTe ICSD 168348 P6_3mc (186) 4 32 3 2.059 2.059 0.000 (0;000) 06/10/16
CI4 ICSD 30789 I-42m (121) 5 32 1 0.9413 0.943 0.000 (0;000) 06/10/16
C COD 9012241 Im-3m (229) 8 32 3 2.5767 3.974 0.000 (0;000) 27/01/17
MgSe ICSD 658986 P6_3mc (186) 4 32 3 2.3123 2.313 0.000 (0;000) 06/10/16
RbBH4 COD 4315653 P4/nmm (129) 12 32 1 6.0005 6.001 0.000 (0;000) 05/01/17
PtS COD 1011334 P4_2/mmc (131) 4 32 3 0.4074 0.407 0.000 (0;000) 27/01/17
MgO ICSD 161842 P6_3mc (186) 4 32 3 3.6457 3.646 0.000 (0;000) 06/10/16
K2MgH4 ICSD 68358 I4/mmm (139) 7 32 1 3.3744 3.781 0.000 (0;000) 27/01/17
Na2H4Pt ICSD 638356 I4/mmm (139) 7 32 1 1.838 1.845 0.000 (0;000) 27/01/17
Li2CdSn ICSD 108223 Fm-3m (225) 4 32 3 0.0 0.000 0.546 (0;000) 27/01/17
TePt ICSD 41370 R-3m (166) 4 32 2 0.0 0.073 0.748 (1;111) 27/01/17
MgO ICSD 181458 P6_3/mmc (194) 4 32 3 3.275 3.275 0.000 (0;000) 27/01/17
CSe2 ICSD 60374 Cmce (64) 6 32 1 1.8396 2.057 0.000 (0;000) 27/01/17
CS2 ICSD 15672 Cmce (64) 6 32 1 0.3788 0.877 0.000 (0;000) 06/10/16
ZrIN ICSD 190381 R-3m (166) 6 32 2 0.4372 1.429 0.000 (0;000) 30/01/17
CO2 ICSD 110776 Pnnm (58) 6 32 1 2.2578 3.149 0.000 (0;000) 06/10/16
Ca2NCl ICSD 62555 R-3m (166) 4 32 1 2.3335 2.334 0.000 (0;000) 27/01/17
ZrIN ICSD 36119 Pmmn (59) 6 32 2 1.1231 1.123 0.000 (0;000) 30/01/17
LiFeAs COD 4501852 P4/nmm (129) 6 32 1 0.0 0.007 0.546 (1;001) 05/01/17
Ba2PCl ICSD 28134 R-3m (166) 4 32 1 0.9165 0.956 0.000 (0;000) 05/01/17
Li2CdPb COD 1525238 Fm-3m (225) 4 32 3 0.0 0.000 0.584 (0;000) 27/01/17
CaSiO3 ICSD 240411 Pm-3m (221) 5 32 3 5.0875 6.198 0.000 (0;000) 27/01/17
Sr2IN COD 1528373 R-3m (166) 4 32 2 0.0 0.003 0.437 (1;000) 30/01/17
VB COD 2310100 Cmcm (63) 4 32 3 0.0 0.019 0.325 (1;000) 27/01/17
NaNbN2 ICSD 657407 R-3m (166) 4 32 2 1.0313 1.255 0.000 (0;000) 27/01/17
SiH4 ICSD 159307 P2_1/c (14) 20 32 2 2.7828 2.791 0.000 (0;000) 27/01/17
TePt COD 1523756 P6_3/mmc (194) 4 32 3 0.0 0.034 0.412 (0;000) 27/01/17
As4C3 ICSD 163831 P-42m (111) 7 32 3 0.0 0.031 0.179 (0;000) 04/10/16
Sr2IN COD 2215222 R-3m (166) 4 32 1 1.861 1.861 0.000 (0;000) 30/01/17
ZrGe ICSD 638161 Pnma (62) 8 32 3 0.0 0.019 0.088 (1;000) 27/01/17
KH2N ICSD 25619 P2_1/m (11) 8 32 1 1.985 1.985 0.000 (0;000) 27/01/17
Ge COD 9013109 Cmce (64) 8 32 3 0.0 0.011 0.466 (1;000) 27/01/17
SrGeO3 COD 2240649 Pm-3m (221) 5 32 3 0.122 0.765 0.000 (0;000) 27/01/17
SrAl2 ICSD 246192 Fd-3m (227) 6 32 3 0.0 0.005 0.597 (0;000) 05/01/17
GeO2 COD 9006853 P4_2/mnm (136) 6 32 3 2.1978 2.198 0.000 (0;000) 27/01/17
CO2 ICSD 188893 Cmce (64) 6 32 1 0.8836 1.332 0.000 (0;000) 27/01/17
CuAs ICSD 610308 P6_3/mmc (194) 4 32 3 0.0 0.002 0.473 (1;000) 05/01/17
HfGe COD 9016210 I4_1/amd (141) 4 32 3 0.0 0.002 0.343 (1;111) 27/01/17
Ge ICSD 167204 P6_3/mmc (194) 8 32 3 0.0 0.003 0.030 (0;000) 27/01/17
ZrSO ICSD 36111 P4/nmm (129) 6 32 3 0.8081 0.808 0.000 (0;000) 27/01/17
HfBe5 ICSD 616291 P6/mmm (191) 6 32 1 0.0 0.022 0.447 (0;001) 05/01/17
BaCO3 ICSD 158389 R3m (160) 5 32 1 3.7206 3.786 0.000 (0;000) 06/10/16
BaCO3 ICSD 158390 R3m (160) 5 32 1 3.7237 3.789 0.000 (0;000) 06/10/16
Os COD 9008510 P6_3/mmc (194) 2 32 3 0.0 0.016 0.519 (0;000) 27/01/17
Ge ICSD 173890 Ia3 (206) 8 32 3 0.0 0.000 0.231 (1;111) 27/01/17
NaAlH4 ICSD 8022 I4_1/a (88) 12 32 1 0.5856 1.005 0.000 (0;000) 05/01/17
SrAl2 ICSD 58166 Imma (74) 6 32 3 0.0 0.116 0.252 (0;000) 05/01/17
Sr2SO ICSD 165968 P4/mmm (123) 4 32 1 2.1939 2.194 0.000 (0;000) 06/10/16
PtO ICSD 164290 P4_2/mmc (131) 4 32 3 0.0 0.001 0.128 (0;000) 27/01/17
AlVFe2 ICSD 57833 Fm-3m (225) 4 32 3 0.0 0.129 0.096 (0;000) 05/01/17
CNCl COD 2310595 Pmmn (59) 6 32 1 5.9059 6.068 0.000 (0;000) 27/01/17
CsK2Sb ICSD 53237 Fm-3m (225) 4 32 1 0.9783 0.978 0.000 (0;000) 27/01/17
Rb3Bi ICSD 58849 Fm-3m (225) 4 32 1 0.0 0.000 0.038 (1;000) 06/10/16
LiGa COD 1523146 Fd-3m (227) 4 32 3 0.0 0.013 0.218 (0;000) 27/01/17
Na2TeC2 COD 7220793 I4/mmm (139) 5 32 1 1.5257 1.827 0.000 (0;000) 27/01/17
BPS4 ICSD 24618 I222 (23) 6 32 1 1.1178 1.383 0.000 (0;000) 06/10/16
BPO4 ICSD 55083 I-4 (82) 6 32 3 7.6318 7.848 0.000 (0;000) 06/10/16
BPO4 ICSD 55082 I-4 (82) 6 32 3 7.5989 7.822 0.000 (0;000) 06/10/16
BPO4 ICSD 413437 I-4 (82) 6 32 3 7.731 7.958 0.000 (0;000) 06/10/16
WO3 ICSD 183408 Pm-3m (221) 4 32 3 0.4293 1.461 0.000 (0;000) 27/01/17
BPO4 ICSD 26890 I-4 (82) 6 32 3 7.4923 7.703 0.000 (0;000) 06/10/16
BPO4 ICSD 150380 I-4 (82) 6 32 3 7.6841 7.769 0.000 (0;000) 06/10/16
BPO4 ICSD 150379 I-4 (82) 6 32 3 7.6826 7.789 0.000 (0;000) 06/10/16
WO3 ICSD 67749 Pm-3m (221) 4 32 3 0.5514 1.584 0.000 (0;000) 27/01/17
BPO4 ICSD 150378 I-4 (82) 6 32 3 7.6596 7.782 0.000 (0;000) 06/10/16
BPO4 ICSD 150377 I-4 (82) 6 32 3 7.7013 7.833 0.000 (0;000) 06/10/16
BPO4 ICSD 150376 I-4 (82) 6 32 3 7.6811 7.826 0.000 (0;000) 06/10/16
BPO4 ICSD 150375 I-4 (82) 6 32 3 7.6708 7.835 0.000 (0;000) 06/10/16
BPO4 ICSD 150374 I-4 (82) 6 32 3 7.6752 7.855 0.000 (0;000) 06/10/16