▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
K3W2 | COD | 1527780 | C2/c (15) | ✔ | 10 | 166 | 1 | 0.0 | 0.000 | 0.693 | (0;011) | ✗ | 11/04/17 |
KNa3WO5 | ICSD | 40249 | C2/m (12) | ✔ | 20 | 188 | 1 | 3.6902 | 3.723 | 0.000 | (0;000) | ✗ | 11/04/17 |
Sr4As2O | ICSD | 33904 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 1.1057 | 1.131 | 0.000 | (0;000) | ✗ | 05/01/17 |
CsF | COD | 9008621 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 5.4775 | 5.478 | 0.000 | (0;000) | ✗ | 27/01/17 |
MnWO4 | COD | 9013910 | P2/c (13) | ✔ | 12 | 134 | 3 | 0.0 | 0.000 | 0.730 | (1;100) | ✗ | 11/04/17 |
Na4W(NO)2 | ICSD | 73101 | P-1 (2) | ✔ | 18 | 172 | 1 | 1.9041 | 1.976 | 0.000 | (0;000) | ✗ | 11/04/17 |
Na2W4O13 | ICSD | 6141 | P-1 (2) | ✔ | 19 | 208 | 3 | 2.5331 | 2.834 | 0.000 | (0;000) | ✗ | 11/04/17 |
Na4WO5 | ICSD | 85063 | P-1 (2) | ✔ | 20 | 188 | 2 | 0.0 | 0.022 | 0.061 | (0;000) | ✗ | 11/04/17 |
NiWO4 | COD | 2310619 | P2/c (13) | ✔ | 12 | 124 | 3 | 0.0 | 0.037 | 0.108 | (1;000) | ✗ | 11/04/17 |
NiP2W | ICSD | 646178 | P6_3/mmc (194) | ✔ | 8 | 96 | 3 | 0.0 | 0.005 | 0.299 | (1;000) | ✗ | 11/04/17 |
NiP3W2 | ICSD | 41818 | C2/m (12) | ✔ | 12 | 162 | 3 | 0.0 | 0.036 | 0.478 | (1;001) | ✗ | 11/04/17 |
CaGa | ICSD | 260641 | Ccmm (63) | ✔ | 4 | 46 | 1 | 0.0 | 0.000 | 0.830 | (0;000) | ✗ | 06/10/16 |
Sr4Ti3O10 | ICSD | 34630 | I4/mmm (139) | ✔ | 17 | 136 | 2 | 1.9115 | 2.185 | 0.000 | (0;000) | ✗ | 11/04/17 |
Sr(AsPd)2 | ICSD | 36374 | I4/mmm (139) | ✔ | 5 | 56 | 3 | 0.0 | 0.009 | 0.729 | (0;111) | ✗ | 05/01/17 |
Sr(AsRu)2 | ICSD | 611298 | I4/mmm (139) | ✔ | 5 | 52 | 2 | 0.0 | 0.007 | 0.548 | (1;000) | ✗ | 05/01/17 |
CsFeO2 | ICSD | 421173 | Fd-3m (227) | ✔ | 8 | 58 | 3 | 0.0 | 0.000 | 0.275 | (0;000) | ✗ | 27/01/17 |
WO3 | COD | 1010618 | P2_1/m (11) | ✔ | 16 | 184 | 3 | 0.0 | 0.005 | 0.532 | (0;001) | ✗ | 11/04/17 |
WO3 | COD | 1521532 | P4/ncc (130) | ✔ | 16 | 184 | 3 | 0.7681 | 0.769 | 0.000 | (0;000) | ✗ | 11/04/17 |
WO3 | COD | 1521533 | P4/nmm (129) | ✔ | 8 | 92 | 3 | 0.5769 | 0.585 | 0.000 | (0;000) | ✗ | 11/04/17 |
PbWO4 | COD | 1527935 | I4_1/a (88) | ✔ | 12 | 132 | 2 | 0.0 | 0.010 | 0.310 | (1;111) | ✗ | 11/04/17 |
Rb2WO4 | ICSD | 24905 | C2/m (12) | ✔ | 14 | 140 | 1 | 4.2379 | 4.358 | 0.000 | (0;000) | ✗ | 11/04/17 |
SrWO4 | ICSD | 184047 | I4_1/a (88) | ✔ | 12 | 124 | 1 | 4.8903 | 4.890 | 0.000 | (0;000) | ✗ | 11/04/17 |
Tl2WO4 | ICSD | 8212 | P-3m1 (164) | ✔ | 14 | 156 | 3 | 2.8141 | 2.944 | 0.000 | (0;000) | ✗ | 11/04/17 |
ZnWO4 | COD | 2101675 | P2/c (13) | ✔ | 12 | 128 | 3 | 2.9526 | 2.975 | 0.000 | (0;000) | ✗ | 11/04/17 |
ZnWO4 | COD | 2101686 | P-1 (2) | ✔ | 12 | 128 | 3 | 2.6316 | 2.818 | 0.000 | (0;000) | ✗ | 11/04/17 |
Pb2WO5 | ICSD | 61399 | C2/m (12) | ✔ | 16 | 172 | 3 | 1.4939 | 1.542 | 0.000 | (0;000) | ✗ | 11/04/17 |
As2Ru | COD | 9012558 | Pnnm (58) | ✔ | 6 | 52 | 3 | 0.4005 | 1.052 | 0.000 | (0;000) | ✗ | 05/01/17 |
Sr(SnAs)2 | COD | 1008735 | R-3m (166) | ✔ | 5 | 48 | 2 | 0.0 | 0.091 | 0.028 | (1;000) | ✗ | 05/01/17 |
Zr3(SiCu)4 | ICSD | 87200 | Immm (71) | ✔ | 11 | 72 | 3 | 0.0 | 0.006 | 0.540 | (0;111) | ✗ | 27/01/17 |
SiCu2NiS4 | ICSD | 628554 | P2/m (10) | ✔ | 8 | 60 | 3 | 0.0 | 0.006 | 0.578 | (1;011) | ✗ | 27/01/17 |
KCu2P2H3(O4F)2 | ICSD | 62646 | C2/m (12) | ✔ | 18 | 106 | 3 | 0.0 | 0.017 | 0.015 | (0;001) | ✗ | 27/01/17 |
CsSb(PO4)2 | ICSD | 202813 | P-3 (147) | ✔ | 12 | 72 | 2 | 3.6081 | 3.731 | 0.000 | (0;000) | ✗ | 27/01/17 |
WS2 | COD | 9009145 | P6_3/mmc (194) | ✔ | 6 | 80 | 2 | 0.9842 | 1.553 | 0.000 | (0;000) | ✗ | 11/04/17 |
CsNaTiO3 | ICSD | 78752 | Cmcm (63) | ✔ | 12 | 96 | 3 | 3.5344 | 3.588 | 0.000 | (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 |
CaGe | ICSD | 185653 | Cmcm (63) | ✔ | 4 | 28 | 1 | 0.0 | 0.031 | 0.197 | (0;110) | ✗ | 06/10/16 |
WSe2 | COD | 9012193 | P6_3/mmc (194) | ✔ | 6 | 80 | 2 | 0.8573 | 1.336 | 0.000 | (0;000) | ✗ | 11/04/17 |
Si3W5 | ICSD | 73331 | I4/mcm (140) | ✔ | 16 | 304 | 3 | 0.0 | 0.005 | 0.690 | (1;000) | ✗ | 11/04/17 |
Sr(ZnAs)2 | ICSD | 23248 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.2109 | 0.211 | 0.000 | (0;000) | ✗ | 05/01/17 |
Zr3W5 | ICSD | 653434 | I4/mcm (140) | ✔ | 16 | 304 | 3 | 0.0 | 0.000 | 0.548 | (1;000) | ✗ | 11/04/17 |
Te3As2 | ICSD | 68110 | R-3m (166) | ✔ | 5 | 28 | 2 | 0.0 | 0.077 | 0.045 | (1;000) | ✗ | 05/01/17 |
KSb2 | ICSD | 80945 | C2/m (12) | ✔ | 6 | 38 | 1 | 0.1801 | 0.569 | 0.000 | (0;000) | ✔ | 02/02/17 |
Zn3As2 | COD | 1010125 | Pn-3m (224) | ✔ | 10 | 92 | 3 | 0.0 | 0.017 | 0.172 | (0;111) | ✗ | 05/01/17 |
CaAs3 | COD | 1529689 | P-1 (2) | ✔ | 8 | 50 | 1 | 0.0 | 0.060 | 0.008 | (1;100) | ✗ | 05/01/17 |
CsN3 | ICSD | 25008 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 4.2572 | 4.296 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaP3 | ICSD | 74479 | P-1 (2) | ✔ | 8 | 50 | 1 | 0.0 | 0.016 | 0.024 | (1;010) | ✗ | 27/01/17 |
CsZn4As3 | COD | 4326066 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 0.0 | 0.040 | 0.073 | (0;001) | ✗ | 05/01/17 |
As3(HO2)5 | COD | 2310419 | P-1 (2) | ✔ | 18 | 80 | 3 | 3.5509 | 3.609 | 0.000 | (0;000) | ✗ | 05/01/17 |
CsNbN2 | ICSD | 72546 | Fd-3m (227) | ✔ | 8 | 64 | 3 | 1.8404 | 1.853 | 0.000 | (0;000) | ✗ | 27/01/17 |
Mo2As3 | ICSD | 43184 | C2/m (12) | ✔ | 10 | 86 | 3 | 0.0 | 0.017 | 0.254 | (0;111) | ✗ | 05/01/17 |
RbZn4As3 | COD | 4326074 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 0.0 | 0.021 | 0.003 | (0;001) | ✗ | 05/01/17 |
CsSbO2 | COD | 2007633 | C2/c (15) | ✔ | 8 | 52 | 1 | 2.476 | 2.493 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsNaS | ICSD | 41323 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 2.5959 | 2.748 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaSi | ICSD | 190659 | Cmcm (63) | ✔ | 4 | 28 | 1 | 0.0 | 0.007 | 0.172 | (1;000) | ✗ | 06/10/16 |
Mo5As4 | ICSD | 43187 | I4/m (87) | ✔ | 9 | 90 | 3 | 0.0 | 0.001 | 0.537 | (1;000) | ✗ | 05/01/17 |
Mo5As4 | ICSD | 610956 | I4/m (87) | ✔ | 9 | 90 | 3 | 0.0 | 0.001 | 0.847 | (1;111) | ✗ | 05/01/17 |
NbSb2 | ICSD | 18144 | C2/m (12) | ✔ | 6 | 46 | 3 | 0.0 | 0.029 | 0.087 | (0;100) | ✔ | 04/10/16 |
BaAsAu | ICSD | 420341 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.000 | 0.046 | (1;000) | ✗ | 05/01/17 |
Rb(TeMo)3 | ICSD | 604499 | P6_3/m (176) | ✔ | 14 | 138 | 3 | 0.0 | 0.000 | 0.266 | (0;000) | ✗ | 24/04/17 |
Na(TeMo)3 | ICSD | 604501 | P6_3/m (176) | ✔ | 14 | 138 | 3 | 0.0 | 0.000 | 0.308 | (0;000) | ✗ | 24/04/17 |
In(TeMo)3 | ICSD | 53100 | P6_3/m (176) | ✔ | 14 | 146 | 3 | 0.0 | 0.000 | 0.299 | (0;000) | ✗ | 24/04/17 |
In(TeMo)3 | ICSD | 640025 | P6_3/m (176) | ✔ | 14 | 146 | 3 | 0.0 | 0.000 | 0.527 | (1;000) | ✗ | 24/04/17 |
K(MoS)3 | ICSD | 30752 | P6_3/m (176) | ✔ | 14 | 138 | 1 | 0.0 | 0.000 | 0.281 | (0;000) | ✗ | 24/04/17 |
K(MoS)3 | ICSD | 641249 | P6_3/m (176) | ✔ | 14 | 138 | 3 | 0.0 | 0.000 | 0.286 | (0;000) | ✗ | 24/04/17 |
K(MoSe)3 | ICSD | 604517 | P6_3/m (176) | ✔ | 14 | 138 | 3 | 0.0 | 0.000 | 0.294 | (0;000) | ✗ | 24/04/17 |
K(TeMo)3 | ICSD | 603671 | P6_3/m (176) | ✔ | 14 | 138 | 3 | 0.0 | 0.000 | 0.307 | (0;000) | ✗ | 24/04/17 |
Na(MoSe)3 | ICSD | 643974 | P6_3/m (176) | ✔ | 14 | 138 | 3 | 0.0 | 0.000 | 0.320 | (0;000) | ✗ | 24/04/17 |
CaAsAu | ICSD | 107915 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.020 | 0.040 | (1;000) | ✗ | 05/01/17 |
CsNO3 | COD | 2106533 | Pmmn (59) | ✔ | 10 | 64 | 1 | 3.4434 | 3.443 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScAl3 | ICSD | 107878 | Pm-3m (221) | ✔ | 4 | 20 | 3 | 0.0 | 0.000 | 0.463 | (0;111) | ✗ | 05/01/17 |
Na2AsAu | ICSD | 23254 | Cmcm (63) | ✔ | 8 | 68 | 1 | 0.2318 | 0.248 | 0.000 | (0;000) | ✗ | 05/01/17 |
B6As | ICSD | 107916 | R-3m (166) | ✔ | 14 | 46 | 3 | 2.5791 | 2.612 | 0.000 | (0;000) | ✗ | 05/01/17 |
TiSi2 | ICSD | 168418 | Cmcm (63) | ✔ | 6 | 40 | 3 | 0.0 | 0.009 | 0.350 | (0;110) | ✗ | 27/01/17 |
BaCdAsF | ICSD | 189938 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.8914 | 0.891 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaCuAs | ICSD | 41705 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.214 | 0.134 | (0;000) | ✗ | 05/01/17 |
Zr2TlC | ICSD | 618976 | P6_3/mmc (194) | ✔ | 8 | 50 | 3 | 0.0 | 0.000 | 0.968 | (0;000) | ✗ | 27/01/17 |
CsS | COD | 1529661 | Immm (71) | ✔ | 4 | 30 | 1 | 1.7649 | 1.976 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs | COD | 9012725 | Cmcm (63) | ✔ | 2 | 18 | 3 | 0.0 | 0.000 | 0.898 | (1;000) | ✗ | 27/01/17 |
CaSn | ICSD | 165193 | Cmcm (63) | ✔ | 4 | 48 | 1 | 0.0 | 0.065 | 0.315 | (0;110) | ✗ | 06/10/16 |
BaMnAsF | ICSD | 248365 | P4/nmm (129) | ✔ | 8 | 74 | 1 | 0.0 | 0.000 | 0.857 | (0;000) | ✗ | 05/01/17 |
HfAu2 | ICSD | 611956 | I4/mmm (139) | ✔ | 3 | 34 | 3 | 0.0 | 0.007 | 0.298 | (1;000) | ✗ | 05/01/17 |
CsV(SO4)2 | ICSD | 73736 | P-3 (147) | ✔ | 12 | 82 | 2 | 0.0 | 0.024 | 0.435 | (0;000) | ✗ | 27/01/17 |
BaZnAsF | ICSD | 189936 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.1626 | 0.163 | 0.000 | (0;000) | ✗ | 05/01/17 |
LiBeAs | COD | 7221252 | P4/nmm (129) | ✔ | 6 | 24 | 1 | 0.8927 | 1.201 | 0.000 | (0;000) | ✗ | 05/01/17 |
CsZn4P3 | COD | 4326067 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 0.0592 | 0.059 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaSn | ICSD | 55220 | Ccmm (63) | ✔ | 4 | 48 | 3 | 0.0 | 0.013 | 0.316 | (1;000) | ✗ | 06/10/16 |
NaBeAs | COD | 7221253 | P6_3/mmc (194) | ✔ | 6 | 36 | 1 | 1.1981 | 1.310 | 0.000 | (0;000) | ✗ | 05/01/17 |
BiAsO4 | COD | 9007425 | I4_1/a (88) | ✔ | 12 | 88 | 3 | 2.6084 | 2.614 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cs2O2 | COD | 9008991 | Immm (71) | ✔ | 4 | 30 | 3 | 1.8466 | 1.901 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca2As | COD | 9008351 | I4/mmm (139) | ✔ | 6 | 50 | 1 | 0.0 | 0.008 | 0.092 | (0;000) | ✗ | 05/01/17 |
Ca3AsCl3 | ICSD | 36002 | Pm-3m (221) | ✔ | 7 | 56 | 1 | 1.7345 | 1.735 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ti2TlC | ICSD | 618954 | P6_3/mmc (194) | ✔ | 8 | 82 | 3 | 0.0 | 0.000 | 0.970 | (1;000) | ✗ | 27/01/17 |
HfAg2S3 | COD | 1509813 | Cmce (64) | ✔ | 24 | 208 | 3 | 1.0678 | 1.340 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ag2SO3 | COD | 1509693 | P2_1/c (14) | ✔ | 24 | 184 | 3 | 2.6768 | 2.738 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ag2SeO3 | COD | 1509694 | P2_1/c (14) | ✔ | 24 | 184 | 3 | 1.8233 | 1.895 | 0.000 | (0;000) | ✗ | 04/08/17 |
Zr2CS | COD | 9008972 | P6_3/mmc (194) | ✔ | 8 | 36 | 3 | 0.0 | 0.015 | 0.336 | (0;000) | ✗ | 27/01/17 |
Ag2TeO3 | COD | 1509697 | P2_1/c (14) | ✔ | 24 | 184 | 3 | 1.6765 | 1.781 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ag2S2O7 | ICSD | 423166 | P-1 (2) | ✔ | 22 | 152 | 3 | 2.0364 | 2.313 | 0.000 | (0;000) | ✗ | 04/08/17 |
SiAg2S3 | ICSD | 180764 | P2_1/c (14) | ✔ | 24 | 176 | 3 | 1.3432 | 1.508 | 0.000 | (0;000) | ✗ | 04/08/17 |
CaTe | ICSD | 41959 | Pnma (62) | ✔ | 8 | 64 | 3 | 0.0 | 0.022 | 0.119 | (0;000) | ✗ | 27/01/17 |