▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
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 |
HfSiS | ICSD | 25735 | P4/nmm (129) | ✔ | 6 | 44 | 3 | 0.0 | 0.101 | 0.125 | (0;001) | ✗ | 27/01/17 |
LiFeO2 | ICSD | 31149 | I4_1/amd (141) | ✔ | 8 | 46 | 3 | 0.0 | 0.000 | 0.787 | (1;111) | ✗ | 27/01/17 |
ScGaCu2 | COD | 1524876 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.015 | 0.251 | (1;000) | ✗ | 27/01/17 |
CdAu | ICSD | 151398 | Pmmb (51) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.867 | (1;000) | ✗ | 06/10/16 |
YInCu2 | COD | 1524632 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.003 | 0.306 | (0;000) | ✗ | 27/01/17 |
ScInCu2 | COD | 1524629 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.020 | 0.310 | (1;000) | ✗ | 27/01/17 |
TiAu | ICSD | 612407 | Pmma (51) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.734 | (0;101) | ✗ | 05/01/17 |
Na3Li3N2 | ICSD | 92311 | P-4m2 (115) | ✗ | 8 | 46 | 3 | 2.7879 | 2.788 | 0.000 | (0;000) | ✗ | 07/10/16 |
LiY(CuP)2 | ICSD | 628287 | P-3m1 (164) | ✔ | 6 | 46 | 3 | 0.0 | 0.370 | 0.150 | (0;000) | ✗ | 27/01/17 |
BPd2 | ICSD | 10487 | Pmnn (58) | ✔ | 6 | 46 | 3 | 0.0 | 0.000 | 0.880 | (0;101) | ✗ | 06/10/16 |
Cu2NiSn | COD | 1525227 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.007 | 0.909 | (0;000) | ✗ | 27/01/17 |
YInAg2 | COD | 1509655 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.001 | 0.380 | (0;000) | ✗ | 05/01/17 |
ScInAg2 | COD | 1509650 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.045 | 0.381 | (1;000) | ✗ | 05/01/17 |
VAs2 | ICSD | 611574 | C2/m (12) | ✔ | 6 | 46 | 3 | 0.0 | 0.020 | 0.148 | (0;111) | ✔ | 05/01/17 |
InAg3 | COD | 1510013 | Pm-3m (221) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.850 | (0;111) | ✗ | 05/01/17 |
Cd2AgAu | COD | 2310024 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.001 | 0.855 | (1;000) | ✗ | 05/01/17 |
Zn2AgAu | COD | 2310025 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.017 | 0.856 | (0;000) | ✗ | 05/01/17 |
ReGe2 | ICSD | 637671 | C2/m (12) | ✔ | 6 | 46 | 3 | 0.0 | 0.117 | 0.344 | (0;111) | ✔ | 27/01/17 |
CrPbO3 | ICSD | 160196 | Pm-3m (221) | ✔ | 5 | 46 | 3 | 0.0 | 0.000 | 0.739 | (0;000) | ✗ | 27/01/17 |
HfAg | ICSD | 605330 | P4/nmm (129) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.851 | (1;001) | ✗ | 05/01/17 |
TiAg | ICSD | 605934 | P4/nmm (129) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.673 | (0;001) | ✗ | 05/01/17 |
NbAs2 | ICSD | 18143 | C2 (5) | ✗ | 6 | 46 | 3 | 0.0 | 0.010 | 0.093 | (0;111) | ✔ | 04/10/16 |
Al5Fe | COD | 2101159 | Cmcm (63) | ✔ | 12 | 46 | 3 | 0.0 | 0.000 | 0.724 | (0;110) | ✗ | 05/01/17 |
Sr2FeO3 | ICSD | 251020 | Immm (71) | ✔ | 6 | 46 | 1 | 0.0 | 0.034 | 0.745 | (0;000) | ✗ | 27/01/17 |
AlFeF5 | COD | 1000363 | Immm (71) | ✔ | 7 | 46 | 3 | 0.0 | 0.098 | 0.084 | (0;000) | ✗ | 05/01/17 |
Mn2AlV | ICSD | 57994 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.007 | 0.684 | (1;000) | ✗ | 05/01/17 |
NbP2 | ICSD | 645169 | C2/m (12) | ✔ | 6 | 46 | 3 | 0.0 | 0.044 | 0.088 | (0;111) | ✔ | 27/01/17 |
Ca(GaAs)2 | ICSD | 422526 | R-3m (166) | ✔ | 5 | 46 | 2 | 0.0 | 0.082 | 0.050 | (1;111) | ✗ | 05/01/17 |
NbAs2 | COD | 2004123 | C2/m (12) | ✔ | 6 | 46 | 3 | 0.0 | 0.026 | 0.083 | (0;111) | ✗ | 05/01/17 |
BC5 | ICSD | 166556 | P-1 (2) | ✔ | 12 | 46 | 3 | 0.0 | 0.084 | 0.417 | (1;110) | ✗ | 06/10/16 |
CaGa | ICSD | 260641 | Ccmm (63) | ✔ | 4 | 46 | 1 | 0.0 | 0.000 | 0.830 | (0;000) | ✗ | 06/10/16 |
B6As | ICSD | 107916 | R-3m (166) | ✔ | 14 | 46 | 3 | 2.5791 | 2.612 | 0.000 | (0;000) | ✗ | 05/01/17 |
NbSb2 | ICSD | 18144 | C2/m (12) | ✔ | 6 | 46 | 3 | 0.0 | 0.029 | 0.087 | (0;100) | ✔ | 04/10/16 |
NbAs2 | ICSD | 81218 | C2/m (12) | ✔ | 6 | 46 | 3 | 0.0 | 0.025 | 0.093 | (0;100) | ✔ | 04/10/16 |
TiCu | COD | 1524654 | P4/nmm (129) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.865 | (0;000) | ✗ | 27/01/17 |
Mg3ZnC | ICSD | 44855 | Pm-3m (221) | ✔ | 5 | 46 | 3 | 0.0 | 0.000 | 0.764 | (1;000) | ✗ | 27/01/17 |
YFeSi | ICSD | 633643 | P4/nmm (129) | ✔ | 6 | 46 | 3 | 0.0 | 0.000 | 0.881 | (1;000) | ✗ | 27/01/17 |
ZrSi2Cu | ICSD | 629236 | P4/nmm (129) | ✔ | 8 | 46 | 3 | 0.0 | 0.000 | 0.896 | (0;001) | ✗ | 27/01/17 |
VP2 | ICSD | 42077 | C2/m (12) | ✔ | 6 | 46 | 3 | 0.0 | 0.034 | 0.163 | (0;111) | ✔ | 27/01/17 |
LiMnAs | ICSD | 26459 | P4/nmm (129) | ✔ | 6 | 46 | 2 | 0.0 | 0.000 | 0.824 | (0;001) | ✗ | 05/01/17 |
H4NF2 | ICSD | 87361 | R-3m (166) | ✔ | 14 | 46 | 1 | 0.0 | 0.011 | 0.428 | (0;000) | ✗ | 27/01/17 |
TiTeAs | COD | 4313611 | Immm (71) | ✔ | 6 | 46 | 3 | 0.0 | 0.076 | 0.094 | (1;000) | ✗ | 05/01/17 |
ScInAu2 | COD | 1510427 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.081 | 0.410 | (0;000) | ✗ | 05/01/17 |
YInAu2 | COD | 1510436 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.067 | 0.399 | (0;000) | ✗ | 05/01/17 |
Co2N | ICSD | 152812 | Pmnn (58) | ✔ | 6 | 46 | 3 | 0.0 | 0.000 | 0.848 | (1;000) | ✗ | 06/10/16 |
Ca3AuN | COD | 1510068 | Pm-3m (221) | ✔ | 5 | 46 | 1 | 0.0 | 0.000 | 0.418 | (1;000) | ✗ | 05/01/17 |
CdAu | COD | 1510072 | Pmma (51) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.870 | (1;000) | ✗ | 05/01/17 |
Zn2CuAu | COD | 1510118 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.004 | 0.861 | (0;000) | ✗ | 05/01/17 |
CuO2 | ICSD | 150913 | Ccmm (63) | ✔ | 6 | 46 | 1 | 0.0 | 0.000 | 0.927 | (0;110) | ✗ | 06/10/16 |
HfAu | ICSD | 611959 | P4/nmm (129) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.804 | (1;001) | ✗ | 05/01/17 |
CuS2 | ICSD | 628782 | Pnnm (58) | ✔ | 6 | 46 | 3 | 0.0 | 0.000 | 0.970 | (0;110) | ✗ | 27/01/17 |
CuSe2 | ICSD | 242 | Pmnn (58) | ✔ | 6 | 46 | 3 | 0.0 | 0.000 | 0.939 | (0;000) | ✗ | 06/10/16 |
GaFe2Co | COD | 1524146 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.006 | 0.350 | (1;000) | ✗ | 27/01/17 |
TiAu | ICSD | 612415 | P4/nmm (129) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.844 | (1;001) | ✗ | 05/01/17 |
Zr3Au | COD | 1510331 | Pm-3n (223) | ✔ | 8 | 46 | 3 | 0.0 | 0.000 | 0.760 | (0;000) | ✗ | 05/01/17 |
NiB12 | ICSD | 614986 | Fm-3m (225) | ✔ | 13 | 46 | 3 | 0.0 | 0.000 | 0.619 | (0;000) | ✗ | 05/01/17 |
CuSe2 | COD | 9012554 | Pnnm (58) | ✔ | 6 | 46 | 3 | 0.0 | 0.000 | 0.942 | (0;000) | ✗ | 27/01/17 |
Zr(CoSi)2 | ICSD | 625135 | I4/mmm (139) | ✔ | 5 | 46 | 3 | 0.0 | 0.023 | 0.374 | (1;111) | ✗ | 27/01/17 |
ZrCuGe2 | ICSD | 627883 | P4/nmm (129) | ✔ | 8 | 46 | 3 | 0.0 | 0.000 | 0.914 | (0;001) | ✗ | 27/01/17 |
Fe3RhN | ICSD | 153274 | Pm-3m (221) | ✔ | 5 | 46 | 3 | 0.0 | 0.000 | 0.590 | (0;000) | ✗ | 27/01/17 |
YGe3 | ICSD | 88075 | Cmcm (63) | ✔ | 8 | 46 | 3 | 0.0 | 0.000 | 0.736 | (0;000) | ✗ | 27/01/17 |
TaSb2 | ICSD | 651600 | C2/m (12) | ✔ | 6 | 46 | 3 | 0.0 | 0.098 | 0.168 | (0;111) | ✔ | 27/01/17 |
LiGa2Rh | COD | 1527267 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.041 | 0.869 | (1;000) | ✗ | 27/01/17 |
LiGa2Ir | COD | 1527263 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.002 | 0.855 | (1;000) | ✗ | 27/01/17 |
MoIr | ICSD | 104499 | Pmmb (51) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.815 | (0;001) | ✗ | 06/10/16 |
IrW | ICSD | 104596 | Pmmb (51) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.746 | (0;001) | ✗ | 06/10/16 |
Ni2B | COD | 1511265 | I4/mcm (140) | ✔ | 6 | 46 | 3 | 0.0 | 0.001 | 0.828 | (0;111) | ✗ | 27/01/17 |
BPt2 | ICSD | 615207 | P6_3/mmc (194) | ✔ | 6 | 46 | 3 | 0.0 | 0.000 | 0.880 | (0;001) | ✗ | 27/01/17 |
NbPt | ICSD | 645211 | Pmma (51) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.803 | (0;101) | ✗ | 27/01/17 |
CoSe | COD | 9008886 | P6_3/mmc (194) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.810 | (0;000) | ✗ | 27/01/17 |
GaGeTe | ICSD | 35386 | R-3m (166) | ✔ | 6 | 46 | 2 | 0.0 | 0.037 | 0.032 | (1;111) | ✗ | 27/01/17 |
Li(CO)2 | ICSD | 154354 | C2/m (12) | ✔ | 10 | 46 | 1 | 2.1698 | 2.525 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaAs2 | ICSD | 107966 | C2 (5) | ✗ | 6 | 46 | 3 | 0.0 | 0.011 | 0.322 | (1;110) | ✔ | 04/10/16 |
NbGaNi2 | ICSD | 634779 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.005 | 0.244 | (1;000) | ✗ | 27/01/17 |
Ni2B | ICSD | 30448 | I4/mcm (140) | ✔ | 6 | 46 | 3 | 0.0 | 0.001 | 0.838 | (0;111) | ✗ | 06/10/16 |
VPt | ICSD | 649822 | Pmmb (51) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.819 | (0;101) | ✗ | 06/10/16 |
CaGa | ICSD | 619272 | Cmcm (63) | ✔ | 4 | 46 | 1 | 0.0 | 0.000 | 0.934 | (0;110) | ✗ | 27/01/17 |
VGaNi2 | COD | 1522462 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.012 | 0.258 | (1;000) | ✗ | 27/01/17 |
YS2 | ICSD | 52216 | Fd-3m (227) | ✔ | 6 | 46 | 3 | 0.0 | 0.000 | 0.796 | (0;000) | ✗ | 27/01/17 |
Na3Li3N2 | ICSD | 92312 | Pm (6) | ✗ | 8 | 46 | 2 | 0.0971 | 0.370 | 0.000 | (0;000) | ✔ | 06/10/16 |
CoS | COD | 9008884 | P6_3/mmc (194) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.670 | (0;000) | ✗ | 27/01/17 |
YS2 | ICSD | 651404 | P4/nmm (129) | ✔ | 6 | 46 | 3 | 0.0 | 0.000 | 0.824 | (0;000) | ✗ | 27/01/17 |
ZnNi3C | ICSD | 77230 | Pm-3m (221) | ✔ | 5 | 46 | 3 | 0.0 | 0.000 | 0.756 | (1;111) | ✗ | 27/01/17 |
CaPd2 | ICSD | 30835 | I4/mmm (139) | ✔ | 3 | 46 | 2 | 0.0 | 0.017 | 0.582 | (1;111) | ✗ | 27/01/17 |
HfNi2Sn | COD | 1523151 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.010 | 0.231 | (1;000) | ✗ | 27/01/17 |
TaP2 | ICSD | 648187 | C2/m (12) | ✔ | 6 | 46 | 3 | 0.0 | 0.128 | 0.155 | (0;001) | ✗ | 06/10/16 |
TaGaNi2 | COD | 1522471 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.002 | 0.249 | (1;000) | ✗ | 27/01/17 |
CoTe | COD | 9008887 | P6_3/mmc (194) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.839 | (1;000) | ✗ | 27/01/17 |
TaAs2 | ICSD | 44069 | C2/m (12) | ✔ | 6 | 46 | 3 | 0.0 | 0.122 | 0.088 | (0;111) | ✔ | 05/01/17 |
LiIn2Ir | COD | 1527270 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.003 | 0.869 | (1;000) | ✗ | 27/01/17 |
LiIn2Rh | ICSD | 106806 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.002 | 0.869 | (1;000) | ✗ | 27/01/17 |
B6P | ICSD | 615157 | R-3m (166) | ✔ | 14 | 46 | 3 | 2.3732 | 2.493 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ag3SI | ICSD | 159858 | R3 (146) | ✗ | 5 | 46 | 3 | 0.4293 | 0.829 | 0.000 | (0;000) | ✔ | 06/10/16 |
Ag3SI | ICSD | 201005 | R3 (146) | ✗ | 5 | 46 | 3 | 0.4545 | 1.022 | 0.000 | (0;000) | ✔ | 28/11/16 |
Ag3SI | ICSD | 174095 | R3 (146) | ✗ | 5 | 46 | 3 | 0.4293 | 0.829 | 0.000 | (0;000) | ✔ | 06/10/16 |
Ag3SI | ICSD | 26450 | R3 (146) | ✗ | 5 | 46 | 3 | 0.4408 | 1.001 | 0.000 | (0;000) | ✔ | 28/11/16 |
Ag3SI | ICSD | 93431 | R3 (146) | ✗ | 5 | 46 | 3 | 0.4794 | 0.925 | 0.000 | (0;000) | ✔ | 06/10/16 |
MnSnIr | COD | 1522487 | F-43m (216) | ✗ | 3 | 46 | 3 | 0.0 | 0.000 | 0.947 | ? | ✗ | 15/02/17 |