▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Co3W | COD | 1524836 | P6_3/mmc (194) | ✔ | 8 | 130 | 3 | 0.0 | 0.000 | 0.708 | (0;000) | ✗ | 27/01/17 |
AlPd | ICSD | 58114 | P2_13 (198) | ✗ | 8 | 52 | 3 | 0.0 | 0.000 | 0.482 | (1;101) | ✔ | 06/10/16 |
Ga3BN4 | ICSD | 187048 | P-43m (215) | ✗ | 8 | 62 | 3 | 2.5318 | 2.532 | 0.000 | (0;000) | ✗ | 06/10/16 |
Si | COD | 9011644 | Cmce (64) | ✔ | 8 | 32 | 3 | 0.0 | 0.010 | 0.416 | (1;000) | ✗ | 27/01/17 |
BiI3 | ICSD | 56570 | R-3 (148) | ✔ | 8 | 72 | 2 | 1.1573 | 1.189 | 0.000 | (0;000) | ✗ | 06/10/16 |
GaB3N4 | ICSD | 187050 | P-43m (215) | ✗ | 8 | 42 | 3 | 3.7874 | 3.787 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ag3Sb | COD | 1510041 | Pmmn (59) | ✔ | 8 | 76 | 3 | 0.0 | 0.039 | 0.180 | (1;000) | ✗ | 05/01/17 |
K3Bi | ICSD | 26885 | Ccmm (63) | ✔ | 8 | 84 | 1 | 0.0 | 0.006 | 0.037 | (0;000) | ✗ | 06/10/16 |
Ag3Sn | COD | 9011118 | Pmmn (59) | ✔ | 8 | 94 | 3 | 0.0 | 0.000 | 0.926 | (0;000) | ✗ | 05/01/17 |
AlAgO2 | COD | 1509222 | P6_3/mmc (194) | ✔ | 8 | 52 | 3 | 2.4214 | 2.600 | 0.000 | (0;000) | ✗ | 05/01/17 |
CrF3 | COD | 2102656 | R-3c (167) | ✔ | 8 | 70 | 3 | 0.0 | 0.000 | 0.416 | (0;000) | ✗ | 27/01/17 |
AgTe2Au | COD | 9003557 | P2/m (10) | ✔ | 8 | 68 | 3 | 0.0 | 0.051 | 0.875 | (0;000) | ✗ | 05/01/17 |
CoAgO2 | ICSD | 180889 | P6_3/mmc (194) | ✔ | 8 | 80 | 3 | 0.0 | 0.002 | 0.391 | (1;000) | ✗ | 05/01/17 |
BaAgSeF | ICSD | 183714 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.2151 | 1.215 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaAgSF | ICSD | 183713 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.4697 | 1.470 | 0.000 | (0;000) | ✗ | 05/01/17 |
V3Si | COD | 1011299 | Pm-3n (223) | ✔ | 8 | 86 | 3 | 0.0 | 0.000 | 0.901 | (1;000) | ✗ | 27/01/17 |
BaAgTeF | ICSD | 419382 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.3753 | 1.375 | 0.000 | (0;000) | ✗ | 05/01/17 |
AlPt | ICSD | 58129 | P2_13 (198) | ✗ | 8 | 52 | 3 | 0.0 | 0.000 | 0.324 | (0;000) | ✔ | 06/10/16 |
CrMoF6 | ICSD | 50507 | P-1 (2) | ✔ | 8 | 70 | 3 | 0.0 | 0.034 | 0.023 | (0;000) | ✗ | 27/01/17 |
MgCrF6 | COD | 1525281 | R-3 (148) | ✔ | 8 | 66 | 3 | 0.0 | 0.021 | 0.431 | (0;000) | ✗ | 27/01/17 |
CrHgF6 | COD | 1525284 | R-3 (148) | ✔ | 8 | 68 | 3 | 0.0069 | 0.033 | 0.000 | (0;000) | ✗ | 27/01/17 |
CoAgO2 | ICSD | 246157 | P6_3/mmc (194) | ✔ | 8 | 80 | 3 | 0.2692 | 0.483 | 0.000 | (0;000) | ✗ | 05/01/17 |
SrCrF6 | COD | 1525279 | R-3m (166) | ✔ | 8 | 66 | 1 | 0.0 | 0.002 | 0.180 | (0;000) | ✗ | 27/01/17 |
TiCdF6 | COD | 1527894 | R-3 (148) | ✔ | 8 | 66 | 3 | 0.1564 | 0.162 | 0.000 | (0;000) | ✗ | 27/01/17 |
AgPbBrO | ICSD | 33913 | P4/nmm (129) | ✔ | 8 | 76 | 3 | 0.3728 | 0.442 | 0.000 | (0;000) | ✗ | 05/01/17 |
ZrCrF6 | ICSD | 35719 | Fm-3m (225) | ✔ | 8 | 60 | 3 | 0.0 | 0.037 | 0.570 | (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 |
Ta3Sn | COD | 4123983 | Pm-3n (223) | ✔ | 8 | 106 | 3 | 0.0 | 0.000 | 0.838 | (1;000) | ✗ | 27/01/17 |
Na3Bi | ICSD | 26881 | Ccmm (63) | ✔ | 8 | 84 | 1 | 0.0 | 0.029 | 0.008 | (1;000) | ✗ | 06/10/16 |
AgClO2 | COD | 2310062 | Cmme (67) | ✔ | 8 | 60 | 2 | 0.632 | 0.632 | 0.000 | (0;000) | ✗ | 05/01/17 |
CdPtF6 | ICSD | 37445 | R-3 (148) | ✔ | 8 | 64 | 3 | 2.2851 | 2.289 | 0.000 | (0;000) | ✗ | 27/01/17 |
Hf2NiP | ICSD | 405616 | P2_1/m (11) | ✔ | 8 | 78 | 3 | 0.0 | 0.000 | 0.949 | (0;000) | ✗ | 27/01/17 |
Ti3Sn | ICSD | 182427 | P6_3/mmc (194) | ✔ | 8 | 100 | 3 | 0.0 | 0.000 | 0.727 | (1;000) | ✗ | 27/01/17 |
V3Sn | COD | 1527071 | Pm-3n (223) | ✔ | 8 | 106 | 3 | 0.0 | 0.000 | 0.923 | (1;000) | ✗ | 27/01/17 |
V3Sn | COD | 1527123 | P6_3/mmc (194) | ✔ | 8 | 106 | 3 | 0.0 | 0.000 | 0.724 | (1;000) | ✗ | 27/01/17 |
Zr3Sn | COD | 1528001 | Pm-3n (223) | ✔ | 8 | 52 | 3 | 0.0 | 0.002 | 0.932 | (1;000) | ✗ | 27/01/17 |
Nb3Bi | ICSD | 58817 | Pm-3n (223) | ✔ | 8 | 108 | 3 | 0.0 | 0.000 | 0.263 | (1;000) | ✗ | 05/01/17 |
Co3Mo | COD | 2310283 | P6_3/mmc (194) | ✔ | 8 | 130 | 3 | 0.0 | 0.000 | 0.696 | (0;000) | ✗ | 27/01/17 |
Rb2MnF5 | ICSD | 82218 | P4/mmm (123) | ✔ | 8 | 68 | 1 | 0.0 | 0.052 | 0.707 | (0;000) | ✗ | 27/01/17 |
FeAgO2 | COD | 2105341 | P6_3/mmc (194) | ✔ | 8 | 62 | 3 | 0.0 | 0.003 | 0.665 | (0;000) | ✗ | 05/01/17 |
SrAgSeF | ICSD | 183710 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.0163 | 1.016 | 0.000 | (0;000) | ✗ | 05/01/17 |
SrAgTeF | ICSD | 183711 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.141 | 1.141 | 0.000 | (0;000) | ✗ | 05/01/17 |
SrAgSF | ICSD | 183709 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.2589 | 1.259 | 0.000 | (0;000) | ✗ | 05/01/17 |
GaAgO2 | COD | 1509345 | P6_3/mmc (194) | ✔ | 8 | 72 | 3 | 0.6743 | 1.783 | 0.000 | (0;000) | ✗ | 05/01/17 |
KCrO2 | ICSD | 425293 | P6_3/mmc (194) | ✔ | 8 | 70 | 2 | 0.0 | 0.000 | 0.918 | (0;000) | ✗ | 27/01/17 |
HfS3 | ICSD | 42074 | P2_1/m (11) | ✔ | 8 | 60 | 2 | 1.1644 | 1.205 | 0.000 | (0;000) | ✗ | 27/01/17 |
InAgO2 | COD | 1509396 | P6_3/mmc (194) | ✔ | 8 | 72 | 3 | 0.1911 | 0.864 | 0.000 | (0;000) | ✗ | 05/01/17 |
Rb3Bi | ICSD | 616995 | Ccmm (63) | ✔ | 8 | 64 | 1 | 0.0 | 0.003 | 0.057 | (0;000) | ✗ | 06/10/16 |
Cr | ICSD | 625716 | Pm-3n (223) | ✔ | 8 | 112 | 3 | 0.0 | 0.005 | 0.346 | (0;000) | ✗ | 27/01/17 |
HfSe3 | ICSD | 42075 | P2_1/m (11) | ✔ | 8 | 60 | 2 | 0.0 | 0.146 | 0.271 | (0;000) | ✔ | 27/01/17 |
AgN3 | COD | 1010308 | I4/mcm (140) | ✔ | 8 | 52 | 3 | 1.6092 | 1.609 | 0.000 | (0;000) | ✗ | 05/01/17 |
NiAgO2 | ICSD | 415451 | P6_3/mmc (194) | ✔ | 8 | 66 | 3 | 0.0 | 0.001 | 0.884 | (0;000) | ✗ | 05/01/17 |
SnBi | ICSD | 160382 | Cmce (64) | ✔ | 8 | 116 | 3 | 0.0 | 0.071 | 0.547 | (1;110) | ✗ | 06/10/16 |
ScAgO2 | COD | 1509495 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 2.2006 | 2.615 | 0.000 | (0;000) | ✗ | 05/01/17 |
YAgO2 | COD | 1509496 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 2.4715 | 2.676 | 0.000 | (0;000) | ✗ | 05/01/17 |
AgO | COD | 1509688 | P2_1/c (14) | ✔ | 8 | 68 | 3 | 0.1484 | 0.645 | 0.000 | (0;000) | ✗ | 05/01/17 |
YAgSb2 | ICSD | 190094 | P4/nmm (129) | ✔ | 8 | 64 | 3 | 0.0 | 0.039 | 0.354 | (1;000) | ✗ | 05/01/17 |
HfNi2Sb | ICSD | 638718 | P6_3/mmc (194) | ✔ | 8 | 74 | 3 | 0.0 | 0.000 | 0.873 | (0;000) | ✗ | 27/01/17 |
RbSbO2 | ICSD | 411216 | C2/c (15) | ✔ | 8 | 52 | 1 | 2.2136 | 2.222 | 0.000 | (0;000) | ✗ | 27/01/17 |
YAl2Co | ICSD | 57645 | Cmcm (63) | ✔ | 8 | 68 | 3 | 0.0 | 0.006 | 0.719 | (0;000) | ✗ | 05/01/17 |
Al2CuIr | ICSD | 167666 | Cmme (67) | ✔ | 8 | 68 | 3 | 0.0 | 0.032 | 0.244 | (1;001) | ✗ | 05/01/17 |
ScAl2Ni | ICSD | 370012 | Cmcm (63) | ✔ | 8 | 54 | 3 | 0.0 | 0.000 | 0.852 | (0;000) | ✗ | 05/01/17 |
CrCdF6 | COD | 1525283 | R-3 (148) | ✔ | 8 | 68 | 3 | 0.0 | 0.029 | 0.188 | (0;000) | ✗ | 27/01/17 |
CrP | COD | 9008930 | Pnma (62) | ✔ | 8 | 76 | 3 | 0.0 | 0.000 | 0.480 | (1;011) | ✗ | 27/01/17 |
HfAl3 | ICSD | 608064 | I4/mmm (139) | ✔ | 8 | 42 | 3 | 0.0 | 0.028 | 0.779 | (1;000) | ✗ | 05/01/17 |
Al3Ir | ICSD | 608237 | P6_3/mmc (194) | ✔ | 8 | 52 | 3 | 0.0 | 0.001 | 0.542 | (1;000) | ✗ | 05/01/17 |
Co3Si | ICSD | 625031 | P6_3/mmc (194) | ✔ | 8 | 110 | 3 | 0.0 | 0.000 | 0.688 | (1;000) | ✗ | 27/01/17 |
YAl3 | ICSD | 58220 | P6_3/mmc (194) | ✔ | 8 | 40 | 3 | 0.0 | 0.010 | 0.518 | (1;000) | ✗ | 05/01/17 |
ZrAl3 | COD | 2100751 | I4/mmm (139) | ✔ | 8 | 26 | 3 | 0.0 | 0.005 | 0.764 | (0;000) | ✗ | 05/01/17 |
AlAuO2 | COD | 1531586 | P6_3/mmc (194) | ✔ | 8 | 52 | 3 | 0.5094 | 1.563 | 0.000 | (0;000) | ✗ | 05/01/17 |
AlAu | COD | 1523318 | P2_1/m (11) | ✔ | 8 | 56 | 3 | 0.0 | 0.126 | 0.308 | (1;000) | ✗ | 05/01/17 |
HfS3 | ICSD | 638846 | P2_1/m (11) | ✔ | 8 | 60 | 2 | 0.0 | 0.056 | 0.282 | (1;010) | ✗ | 27/01/17 |
CuCN2 | ICSD | 161460 | Cmcm (63) | ✔ | 8 | 50 | 3 | 0.0 | 0.000 | 0.436 | (0;000) | ✗ | 27/01/17 |
HfP | ICSD | 42914 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 0.0 | 0.034 | 0.345 | (1;000) | ✗ | 27/01/17 |
RbScO2 | COD | 1528203 | P6_3/mmc (194) | ✔ | 8 | 64 | 2 | 3.4955 | 3.922 | 0.000 | (0;000) | ✗ | 27/01/17 |
BrF3 | ICSD | 31689 | Ccm2_1 (36) | ✗ | 8 | 56 | 1 | 2.3987 | 2.540 | 0.000 | (0;000) | ✗ | 06/10/16 |
CrTe | COD | 1525992 | Pnma (62) | ✔ | 8 | 80 | 3 | 0.0 | 0.004 | 0.465 | (1;000) | ✗ | 27/01/17 |
YHg3 | COD | 1522354 | P6_3/mmc (194) | ✔ | 8 | 94 | 3 | 0.0 | 0.000 | 0.689 | (0;000) | ✗ | 27/01/17 |
ScHg3 | COD | 1522353 | P6_3/mmc (194) | ✔ | 8 | 94 | 3 | 0.0 | 0.000 | 0.741 | (0;000) | ✗ | 27/01/17 |
CsAlO2 | ICSD | 28372 | Fd-3m (227) | ✔ | 8 | 48 | 3 | 4.8428 | 4.850 | 0.000 | (0;000) | ✗ | 05/01/17 |
TeI | ICSD | 108 | C2/m (12) | ✔ | 8 | 52 | 2 | 0.4247 | 0.727 | 0.000 | (0;000) | ✔ | 06/10/16 |
LiHg3 | ICSD | 639074 | P6_3/mmc (194) | ✔ | 8 | 78 | 3 | 0.0 | 0.000 | 0.893 | (0;000) | ✗ | 27/01/17 |
GaFe3 | ICSD | 631740 | P6_3/mmc (194) | ✔ | 8 | 74 | 3 | 0.0 | 0.000 | 0.898 | (0;000) | ✗ | 27/01/17 |
Cs2MnF5 | ICSD | 69675 | P4/mmm (123) | ✔ | 8 | 68 | 1 | 0.0 | 0.052 | 0.625 | (0;000) | ✗ | 27/01/17 |
AlCuO2 | COD | 1531583 | P6_3/mmc (194) | ✔ | 8 | 52 | 3 | 1.9892 | 2.478 | 0.000 | (0;000) | ✗ | 05/01/17 |
AlF3 | COD | 1000467 | R-3c (167) | ✔ | 8 | 48 | 3 | 8.0575 | 8.058 | 0.000 | (0;000) | ✗ | 05/01/17 |
Fe3Ge | COD | 1001144 | P6_3/mmc (194) | ✔ | 8 | 56 | 3 | 0.0 | 0.000 | 0.549 | (1;000) | ✗ | 27/01/17 |
PI3 | ICSD | 311 | P2_1 (4) | ✗ | 8 | 52 | 1 | 1.8955 | 1.899 | 0.000 | (0;000) | ✗ | 06/10/16 |
K2AlF5 | COD | 1000479 | P4/mmm (123) | ✔ | 8 | 56 | 1 | 6.503 | 6.546 | 0.000 | (0;000) | ✗ | 05/01/17 |
TiI3 | ICSD | 422870 | Cm2m (38) | ✗ | 8 | 66 | 1 | 0.0 | 0.009 | 0.345 | (0;000) | ✔ | 06/10/16 |
ZrI3 | ICSD | 74648 | Cm2m (38) | ✗ | 8 | 66 | 1 | 0.0 | 0.085 | 0.322 | (0;000) | ✔ | 06/10/16 |
AlH3 | COD | 4343801 | R-3c (167) | ✔ | 8 | 12 | 3 | 2.287 | 2.372 | 0.000 | (0;000) | ✗ | 05/01/17 |
Mg3Hg | COD | 1523297 | P6_3/mmc (194) | ✔ | 8 | 84 | 3 | 0.0 | 0.023 | 0.588 | (1;000) | ✗ | 27/01/17 |
HfAlPt2 | ICSD | 608138 | P6_3/mmc (194) | ✔ | 8 | 70 | 3 | 0.0 | 0.000 | 0.937 | (0;000) | ✗ | 05/01/17 |
KAlO2 | COD | 2105208 | Fd-3m (227) | ✔ | 8 | 48 | 0 | 3.2866 | 3.290 | 0.000 | (0;000) | ✗ | 05/01/17 |
LiAl | ICSD | 262069 | P6_3/mmc (194) | ✔ | 8 | 24 | 1 | 0.0 | 0.000 | 0.353 | (0;000) | ✗ | 05/01/17 |
InRu3 | ICSD | 640342 | P6_3/mmc (194) | ✔ | 8 | 122 | 3 | 0.0 | 0.000 | 0.712 | (1;000) | ✗ | 27/01/17 |
C | COD | 9012590 | P6_3/mmc (194) | ✔ | 8 | 32 | 3 | 4.4445 | 5.193 | 0.000 | (0;000) | ✗ | 27/01/17 |
YCd3 | COD | 1524117 | Cmcm (63) | ✔ | 8 | 94 | 3 | 0.0 | 0.000 | 0.845 | (1;110) | ✗ | 27/01/17 |
SrIn2Ir | ICSD | 410401 | Cmcm (63) | ✔ | 8 | 106 | 3 | 0.0 | 0.000 | 0.784 | (0;110) | ✗ | 27/01/17 |