▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CaZn | ICSD | 58944 | Ccmm (63) | ✔ | 4 | 44 | 1 | 0.0 | 0.019 | 0.538 | (0;110) | ✗ | 06/10/16 |
MgCd | ICSD | 102022 | Pmmb (51) | ✔ | 4 | 44 | 3 | 0.0 | 0.023 | 0.371 | (0;100) | ✗ | 06/10/16 |
Li2CuAs | ICSD | 43938 | P6_3/mmc (194) | ✔ | 8 | 44 | 2 | 0.0 | 0.467 | 0.219 | (0;000) | ✗ | 05/01/17 |
FeSn | ICSD | 150691 | P6_3/mmc (194) | ✔ | 4 | 44 | 3 | 0.0 | 0.012 | 0.493 | (1;000) | ✗ | 27/01/17 |
NaFeAs | ICSD | 163143 | P4/nmm (129) | ✔ | 6 | 44 | 1 | 0.0 | 0.002 | 0.460 | (1;001) | ✗ | 05/01/17 |
NbGeAs | ICSD | 610611 | P4/nmm (129) | ✔ | 6 | 44 | 2 | 0.0 | 0.022 | 0.299 | (0;001) | ✗ | 05/01/17 |
Bi2CO5 | ICSD | 94740 | Imm2 (44) | ✗ | 8 | 44 | 2 | 0.0 | 0.002 | 0.256 | (0;111) | ✔ | 06/10/16 |
NbSiAs | COD | 1527598 | P4/nmm (129) | ✔ | 6 | 44 | 3 | 0.0 | 0.004 | 0.162 | (0;001) | ✗ | 05/01/17 |
TaSiAs | COD | 9008349 | P4/nmm (129) | ✔ | 6 | 44 | 3 | 0.0 | 0.042 | 0.125 | (0;001) | ✗ | 05/01/17 |
OsCl4 | ICSD | 1165 | Cmmm (65) | ✔ | 5 | 44 | 1 | 0.0 | 0.322 | 0.353 | (0;000) | ✗ | 06/10/16 |
CuAu3 | COD | 1510492 | Pm-3m (221) | ✔ | 4 | 44 | 3 | 0.0 | 0.000 | 0.547 | (0;111) | ✗ | 05/01/17 |
Cu3Au | COD | 9013496 | Pm-3m (221) | ✔ | 4 | 44 | 3 | 0.0 | 0.018 | 0.575 | (0;111) | ✗ | 05/01/17 |
K3AuO | COD | 1510209 | Pm-3m (221) | ✔ | 5 | 44 | 1 | 0.4723 | 0.529 | 0.000 | (0;000) | ✗ | 05/01/17 |
Rb3AuO | COD | 1510260 | Pm-3m (221) | ✔ | 5 | 44 | 1 | 0.0 | 0.154 | 0.053 | (0;000) | ✗ | 05/01/17 |
Ni(BMo)2 | COD | 1510766 | Immm (71) | ✔ | 5 | 44 | 3 | 0.0 | 0.029 | 0.126 | (1;000) | ✗ | 05/01/17 |
B2Os | COD | 1510804 | Pmmn (59) | ✔ | 6 | 44 | 3 | 0.0 | 0.175 | 0.368 | (0;010) | ✗ | 05/01/17 |
B2Ru | COD | 1510818 | Pmmn (59) | ✔ | 6 | 44 | 3 | 0.0 | 0.059 | 0.376 | (0;010) | ✗ | 05/01/17 |
NO | ICSD | 27871 | P2_1/c (14) | ✔ | 8 | 44 | 1 | 0.0 | 0.002 | 0.048 | (0;010) | ✔ | 27/01/17 |
CdAs2 | ICSD | 16037 | I4_122 (98) | ✗ | 6 | 44 | 3 | 0.2887 | 0.909 | 0.000 | (0;000) | ✔ | 06/10/16 |
GaCuPt2 | ICSD | 102928 | P4/mmm (123) | ✔ | 4 | 44 | 3 | 0.0 | 0.018 | 0.251 | (1;111) | ✗ | 27/01/17 |
Ba(CdP)2 | ICSD | 30915 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.7653 | 0.773 | 0.000 | (0;000) | ✗ | 05/01/17 |
MgNi3C | COD | 1100063 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 0.0 | 0.000 | 0.724 | (1;111) | ✗ | 27/01/17 |
Ba(CuS)2 | ICSD | 615832 | I4/mmm (139) | ✔ | 5 | 44 | 2 | 0.5441 | 0.544 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba(CuSe)2 | COD | 1521196 | I4/mmm (139) | ✔ | 5 | 44 | 2 | 0.3094 | 0.309 | 0.000 | (0;000) | ✗ | 05/01/17 |
TiNi | ICSD | 105414 | P2_1/m (11) | ✔ | 4 | 44 | 3 | 0.0 | 0.025 | 0.763 | (1;100) | ✔ | 06/10/16 |
Cu2GeS3 | ICSD | 627779 | Im2m (44) | ✗ | 6 | 44 | 3 | 0.0 | 0.027 | 0.144 | (0;101) | ✔ | 06/10/16 |
Cu2GeSe3 | ICSD | 160386 | Im2m (44) | ✗ | 6 | 44 | 3 | 0.0 | 0.021 | 0.176 | (1;010) | ✔ | 06/10/16 |
Cu2GeSe3 | ICSD | 70056 | Im2m (44) | ✗ | 6 | 44 | 3 | 0.0 | 0.017 | 0.159 | (0;000) | ✔ | 06/10/16 |
Cu2GeTe3 | ICSD | 151872 | Im2m (44) | ✗ | 6 | 44 | 3 | 0.0 | 0.008 | 0.217 | (1;010) | ✔ | 06/10/16 |
BaLi2(MgGe)2 | COD | 8101153 | R-3m (166) | ✔ | 7 | 44 | 1 | 0.0 | 0.117 | 0.220 | (0;000) | ✗ | 05/01/17 |
BaLi2(MgSi)2 | COD | 8101152 | R-3m (166) | ✔ | 7 | 44 | 1 | 0.0 | 0.311 | 0.196 | (0;000) | ✗ | 05/01/17 |
HfPd | ICSD | 185631 | Ccmm (63) | ✔ | 4 | 44 | 3 | 0.0 | 0.024 | 0.295 | (1;000) | ✗ | 06/10/16 |
HfNi | ICSD | 638689 | Cmcm (63) | ✔ | 4 | 44 | 3 | 0.0 | 0.060 | 0.384 | (1;000) | ✗ | 27/01/17 |
HfPt | ICSD | 638781 | Cmcm (63) | ✔ | 4 | 44 | 3 | 0.0 | 0.014 | 0.435 | (0;000) | ✗ | 27/01/17 |
BaOsO3 | ICSD | 237730 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 0.0 | 0.264 | 0.690 | (0;000) | ✗ | 05/01/17 |
PtO2 | ICSD | 24923 | P6_3mc (186) | ✗ | 6 | 44 | 2 | 1.4599 | 1.605 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba(ZnP)2 | COD | 7221353 | I4/mmm (139) | ✔ | 5 | 44 | 2 | 0.0 | 0.286 | 0.109 | (0;000) | ✗ | 05/01/17 |
BaS2 | ICSD | 42134 | C2/c (15) | ✔ | 6 | 44 | 1 | 1.5646 | 1.599 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaSe2 | COD | 7221479 | C2/c (15) | ✔ | 6 | 44 | 1 | 1.009 | 1.076 | 0.000 | (0;000) | ✗ | 05/01/17 |
Fe(SiP)4 | ICSD | 79005 | P1 (1) | ✗ | 9 | 44 | 3 | 1.0026 | 1.287 | 0.000 | (0;000) | ✗ | 06/10/16 |
Zr6FeTe2 | ICSD | 82530 | P-62m (189) | ✗ | 9 | 44 | 3 | 0.0 | 0.000 | 0.846 | (0;100) | ✔ | 06/10/16 |
InCuPt2 | ICSD | 108380 | P4/mmm (123) | ✔ | 4 | 44 | 3 | 0.0 | 0.002 | 0.230 | (0;000) | ✗ | 27/01/17 |
VIr | ICSD | 104590 | Cmmm (65) | ✔ | 4 | 44 | 3 | 0.0 | 0.012 | 0.614 | (0;111) | ✗ | 06/10/16 |
Be3N2 | ICSD | 25656 | P6_3/mmc (194) | ✔ | 10 | 44 | 1 | 3.3628 | 4.793 | 0.000 | (0;000) | ✗ | 02/02/17 |
FeB | ICSD | 33577 | Pnma (62) | ✔ | 8 | 44 | 3 | 0.0 | 0.000 | 0.520 | (0;011) | ✗ | 05/01/17 |
FeB | COD | 1010477 | Pnma (62) | ✔ | 8 | 44 | 3 | 0.0 | 0.001 | 0.652 | (0;011) | ✗ | 05/01/17 |
FeB | COD | 1011336 | Pnma (62) | ✔ | 8 | 44 | 3 | 0.0 | 0.000 | 0.776 | (0;011) | ✗ | 05/01/17 |
CoSb | COD | 9008885 | P6_3/mmc (194) | ✔ | 4 | 44 | 3 | 0.0 | 0.017 | 0.704 | (0;000) | ✗ | 27/01/17 |
SN | ICSD | 41967 | P2_1/c (14) | ✔ | 8 | 44 | 1 | 0.0 | 0.008 | 0.092 | (0;010) | ✗ | 27/01/17 |
Li3BN2 | COD | 1511227 | P4_2/mnm (136) | ✔ | 12 | 44 | 1 | 3.4812 | 4.061 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2CuP | COD | 4000338 | P6_3/mmc (194) | ✔ | 8 | 44 | 2 | 0.0 | 0.718 | 0.239 | (0;000) | ✗ | 27/01/17 |
CsSnBr3 | ICSD | 4071 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 0.0133 | 0.013 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li6Br3N | COD | 1528848 | Fm-3m (225) | ✔ | 10 | 44 | 1 | 2.9029 | 3.244 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2MgBr4 | ICSD | 73276 | Cmmm (65) | ✔ | 7 | 44 | 2 | 4.4109 | 4.411 | 0.000 | (0;000) | ✗ | 27/01/17 |
NiS2 | ICSD | 169570 | Pmnn (58) | ✔ | 6 | 44 | 3 | 0.0 | 0.038 | 0.596 | (1;000) | ✗ | 06/10/16 |
TiNi | ICSD | 157606 | Pmmb (51) | ✔ | 4 | 44 | 3 | 0.0 | 0.011 | 0.650 | (0;100) | ✗ | 06/10/16 |
ZrNi | ICSD | 105478 | Ccmm (63) | ✔ | 4 | 44 | 3 | 0.0 | 0.007 | 0.409 | (1;000) | ✗ | 06/10/16 |
PtO2 | ICSD | 202407 | Pmnn (58) | ✔ | 6 | 44 | 3 | 0.4791 | 0.746 | 0.000 | (0;000) | ✗ | 06/10/16 |
TiPd | ICSD | 167649 | P2_1/m (11) | ✔ | 4 | 44 | 3 | 0.0 | 0.000 | 0.849 | (0;000) | ✔ | 06/10/16 |
Cs2PdC2 | COD | 1526416 | P-3m1 (164) | ✔ | 5 | 44 | 3 | 1.5635 | 1.637 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2PdC2 | ICSD | 421490 | P-3m1 (164) | ✔ | 5 | 44 | 3 | 1.4251 | 1.457 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ga2Te3 | ICSD | 657608 | R-3m (166) | ✔ | 5 | 44 | 2 | 0.0 | 0.032 | 0.483 | (1;111) | ✗ | 27/01/17 |
Na2PdC2 | ICSD | 50172 | P-3m1 (164) | ✔ | 5 | 44 | 3 | 0.926 | 1.020 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb2PdC2 | COD | 1526412 | P-3m1 (164) | ✔ | 5 | 44 | 3 | 1.5508 | 1.551 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScGaNi2 | COD | 1523490 | Fm-3m (225) | ✔ | 4 | 44 | 3 | 0.0 | 0.000 | 0.640 | (0;000) | ✗ | 27/01/17 |
Ca3Pb | ICSD | 58921 | Pm-3m (221) | ✔ | 4 | 44 | 1 | 0.0 | 0.000 | 0.240 | (1;111) | ✗ | 27/01/17 |
TiPd | ICSD | 167648 | Pmmb (51) | ✔ | 4 | 44 | 3 | 0.0 | 0.012 | 0.602 | (0;100) | ✗ | 06/10/16 |
Ca(CdP)2 | COD | 7221218 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.8743 | 0.874 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca(CdSb)2 | COD | 7221360 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.0 | 0.081 | 0.045 | (0;000) | ✗ | 27/01/17 |
N3Cl | ICSD | 424502 | Cmc2_1 (36) | ✗ | 8 | 44 | 1 | 2.3446 | 2.370 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZrPd | ICSD | 186411 | Ccmm (63) | ✔ | 4 | 44 | 3 | 0.0 | 0.030 | 0.330 | (1;000) | ✗ | 06/10/16 |
TiPt | ICSD | 184442 | Pmma (51) | ✔ | 4 | 44 | 3 | 0.0 | 0.021 | 0.686 | (1;001) | ✗ | 27/01/17 |
Ca(CuS)2 | COD | 4001658 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 1.0638 | 1.064 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrS2 | ICSD | 642 | I4/mcm (140) | ✔ | 6 | 44 | 1 | 1.3022 | 2.079 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrS3 | ICSD | 42073 | P2_1/m (11) | ✔ | 8 | 44 | 2 | 0.9911 | 1.042 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca(ZnP)2 | COD | 7221217 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.8628 | 0.990 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca(ZnSb)2 | COD | 7221359 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.0 | 0.025 | 0.103 | (0;000) | ✗ | 27/01/17 |
KCrF3 | ICSD | 27690 | P4/mmm (123) | ✔ | 5 | 44 | 3 | 0.0 | 0.036 | 0.796 | (0;000) | ✗ | 27/01/17 |
KCrF3 | COD | 4124105 | P4/mmm (123) | ✔ | 5 | 44 | 3 | 0.0 | 0.036 | 0.798 | (0;000) | ✗ | 27/01/17 |
MnGaFe2 | ICSD | 186721 | Fm-3m (225) | ✔ | 4 | 44 | 3 | 0.0 | 0.000 | 0.758 | (1;000) | ✗ | 27/01/17 |
CsSnCl3 | ICSD | 28082 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 0.2771 | 0.277 | 0.000 | (0;000) | ✗ | 27/01/17 |
YCBr | ICSD | 78871 | C2/m (12) | ✔ | 6 | 44 | 2 | 0.0 | 0.017 | 0.505 | (0;000) | ✗ | 27/01/17 |
FeF2 | COD | 9009074 | P4_2/mnm (136) | ✔ | 6 | 44 | 3 | 0.0 | 0.004 | 0.260 | (0;000) | ✗ | 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 |
NbGeSb | ICSD | 637231 | P4/nmm (129) | ✔ | 6 | 44 | 2 | 0.0 | 0.027 | 0.169 | (0;001) | ✗ | 27/01/17 |
Hf2H2Pd | ICSD | 638175 | I4/mmm (139) | ✔ | 5 | 44 | 3 | 0.0 | 0.016 | 0.507 | (0;111) | ✗ | 27/01/17 |
HfPbO3 | ICSD | 161702 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 2.1252 | 2.134 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiFeH2 | ICSD | 601978 | P2/m (10) | ✔ | 8 | 44 | 3 | 0.0 | 0.017 | 0.760 | (1;100) | ✗ | 27/01/17 |
MnGaFe2 | ICSD | 186722 | P4/mmm (123) | ✔ | 4 | 44 | 3 | 0.0 | 0.003 | 0.761 | (0;100) | ✗ | 27/01/17 |
Sr(CdSb)2 | COD | 7221362 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.0 | 0.015 | 0.080 | (0;000) | ✗ | 27/01/17 |
Sr(CdP)2 | ICSD | 30912 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.7783 | 0.778 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaS2 | ICSD | 2004 | C2/c (15) | ✔ | 6 | 44 | 1 | 1.5522 | 1.591 | 0.000 | (0;000) | ✗ | 06/10/16 |
MgCd | COD | 2310317 | Pmma (51) | ✔ | 4 | 44 | 3 | 0.0 | 0.023 | 0.371 | (0;100) | ✗ | 27/01/17 |
ZnCdPt2 | COD | 1524674 | P4/mmm (123) | ✔ | 4 | 44 | 3 | 0.0 | 0.013 | 0.693 | (1;000) | ✗ | 27/01/17 |
CsPbCl3 | COD | 1530111 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 0.6886 | 0.689 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeCN2 | COD | 7054164 | P6_3/mmc (194) | ✔ | 8 | 44 | 3 | 0.0 | 0.009 | 0.266 | (0;000) | ✗ | 27/01/17 |
BaSe2 | ICSD | 16358 | C2/c (15) | ✔ | 6 | 44 | 1 | 1.009 | 1.076 | 0.000 | (0;000) | ✗ | 06/10/16 |
Zr6Sb2Pt | ICSD | 157366 | P-62m (189) | ✗ | 9 | 44 | 3 | 0.0 | 0.000 | 0.847 | (0;000) | ✔ | 06/10/16 |
HfSb2 | ICSD | 638876 | P4/nmm (129) | ✔ | 6 | 44 | 3 | 0.0 | 0.041 | 0.267 | (1;000) | ✗ | 27/01/17 |