▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
FeSe2 | COD | 9012125 | Pnnm (58) | ✔ | 6 | 40 | 3 | 0.2989 | 0.802 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ba4Li(SbO4)3 | ICSD | 202200 | Im-3m (229) | ✔ | 20 | 130 | 3 | 2.0478 | 2.129 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba4Na(SbO4)3 | COD | 2001366 | Im-3m (229) | ✔ | 20 | 136 | 3 | 1.8829 | 1.962 | 0.000 | (0;000) | ✗ | 02/02/17 |
BPO4 | ICSD | 55083 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6318 | 7.848 | 0.000 | (0;000) | ✗ | 06/10/16 |
AgCl | COD | 9011680 | Cmcm (63) | ✔ | 4 | 36 | 3 | 0.6339 | 1.812 | 0.000 | (0;000) | ✗ | 05/01/17 |
CoAgO2 | ICSD | 261608 | P6_3/mmc (194) | ✔ | 16 | 160 | 3 | 0.279 | 0.450 | 0.000 | (0;000) | ✗ | 05/01/17 |
Nb3Bi | ICSD | 58817 | Pm-3n (223) | ✔ | 8 | 108 | 3 | 0.0 | 0.000 | 0.263 | (1;000) | ✗ | 05/01/17 |
Ba5Cd2(Sb2O)2 | ICSD | 423458 | C2/m (12) | ✔ | 13 | 106 | 3 | 0.0 | 0.057 | 0.125 | (1;111) | ✗ | 02/02/17 |
Cs2KAgF6 | ICSD | 16783 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 0.0 | 0.000 | 0.534 | (0;000) | ✗ | 05/01/17 |
CsAgF3 | COD | 1509275 | I4/mcm (140) | ✔ | 10 | 82 | 3 | 0.0 | 0.011 | 0.262 | (0;000) | ✗ | 05/01/17 |
NaMgSO4F | ICSD | 262272 | C2/c (15) | ✔ | 16 | 112 | 3 | 5.6507 | 5.651 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeS | COD | 9007654 | Pnma (62) | ✔ | 8 | 56 | 3 | 0.0 | 0.012 | 0.184 | (1;000) | ✗ | 27/01/17 |
TaFeSi | ICSD | 633568 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.001 | 0.529 | (1;011) | ✗ | 27/01/17 |
Si2N2O | ICSD | 415575 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.1828 | 5.183 | 0.000 | (0;000) | ✗ | 06/10/16 |
NiBi | ICSD | 58820 | P6_3/mmc (194) | ✔ | 4 | 50 | 3 | 0.0 | 0.000 | 0.745 | (0;000) | ✗ | 05/01/17 |
YBPt2 | ICSD | 156946 | P6_222 (180) | ✗ | 12 | 102 | 3 | 0.0 | 0.009 | 0.363 | ? | ✗ | 06/10/16 |
Ba(BiPd)2 | ICSD | 416299 | P2_1/m (11) | ✔ | 10 | 152 | 3 | 0.0 | 0.059 | 0.739 | (0;000) | ✗ | 02/02/17 |
CuAgO2 | COD | 1509289 | C2/m (12) | ✔ | 4 | 34 | 3 | 0.0 | 0.165 | 0.014 | (0;000) | ✗ | 05/01/17 |
CuAgSe | COD | 9008069 | Pmmn (59) | ✔ | 6 | 56 | 3 | 0.0 | 0.058 | 0.080 | (1;000) | ✗ | 05/01/17 |
YBPt2 | ICSD | 156947 | P6_222 (180) | ✗ | 12 | 102 | 3 | 0.0 | 0.012 | 0.375 | ? | ✗ | 06/10/16 |
CuAgS | COD | 8103391 | Cmcm (63) | ✔ | 6 | 56 | 3 | 0.4708 | 0.549 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaBiO3 | COD | 2100569 | P2_1/c (14) | ✔ | 20 | 172 | 3 | 0.0 | 1.096 | 0.032 | (0;000) | ✗ | 02/02/17 |
AgF2 | COD | 1509319 | P2_1/c (14) | ✔ | 6 | 50 | 3 | 0.0 | 0.000 | 0.402 | (0;000) | ✗ | 05/01/17 |
ReN | ICSD | 167878 | F-43m (216) | ✗ | 2 | 20 | 3 | 0.0 | 0.030 | 0.330 | (1;000) | ✔ | 04/10/16 |
BiPd | ICSD | 108171 | P6_3/mmc (194) | ✔ | 4 | 30 | 3 | 0.0 | 0.000 | 0.836 | (1;000) | ✗ | 06/10/16 |
AgF2 | COD | 1509321 | Pbca (61) | ✔ | 12 | 100 | 3 | 0.0 | 0.002 | 0.375 | (0;111) | ✗ | 05/01/17 |
RbAgF3 | COD | 1509323 | I4/mcm (140) | ✔ | 10 | 82 | 3 | 0.0 | 0.013 | 0.273 | (0;000) | ✗ | 05/01/17 |
AlSb | ICSD | 151218 | F-43m (216) | ✗ | 2 | 8 | 3 | 0.9754 | 1.422 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZnAgF3 | COD | 4119063 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 1.2015 | 2.184 | 0.000 | (0;000) | ✗ | 05/01/17 |
Sn5(BIr3)2 | ICSD | 78984 | P-62m (189) | ✗ | 13 | 130 | 3 | 0.0 | 0.000 | 0.323 | ? | ✗ | 06/10/16 |
Cd2SnO4 | COD | 1522049 | Pbam (55) | ✔ | 14 | 124 | 3 | 0.6928 | 0.693 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ba(Cd2Pt)2 | COD | 4334058 | P4_2/mnm (136) | ✔ | 14 | 156 | 3 | 0.0 | 0.009 | 0.947 | (1;000) | ✗ | 02/02/17 |
SrCd2Pd | ICSD | 425494 | Cmcm (63) | ✔ | 8 | 104 | 3 | 0.0 | 0.013 | 0.642 | (1;000) | ✗ | 27/01/17 |
BaCdO2 | ICSD | 25555 | Pnma (62) | ✔ | 16 | 136 | 3 | 1.0459 | 1.070 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCdS2 | ICSD | 66655 | Pnma (62) | ✔ | 16 | 136 | 3 | 1.8142 | 1.814 | 0.000 | (0;000) | ✗ | 02/02/17 |
HfN2 | ICSD | 290427 | P-6m2 (187) | ✗ | 3 | 22 | 3 | 0.0 | 0.033 | 0.203 | (0;000) | ✔ | 06/10/16 |
BiPd3 | ICSD | 58839 | Pmma (51) | ✔ | 16 | 276 | 3 | 0.0 | 0.017 | 0.741 | (0;100) | ✗ | 02/02/17 |
AgSO4 | ICSD | 421341 | P-1 (2) | ✔ | 12 | 82 | 3 | 0.0 | 0.042 | 0.104 | (1;111) | ✗ | 05/01/17 |
ScCd3 | COD | 1525206 | P6_3/mmc (194) | ✔ | 8 | 94 | 3 | 0.0 | 0.000 | 0.813 | (0;000) | ✗ | 27/01/17 |
BaCrO3 | ICSD | 35029 | P6_3/mmc (194) | ✔ | 20 | 168 | 3 | 0.0 | 0.004 | 0.700 | (1;000) | ✗ | 02/02/17 |
Sn5(BRh3)2 | ICSD | 77352 | P-62m (189) | ✗ | 13 | 178 | 3 | 0.0 | 0.003 | 0.569 | ? | ✗ | 06/10/16 |
Ba(CuS)2 | COD | 1521193 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.8873 | 0.887 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(CuSb)2 | ICSD | 236308 | P4/nmm (129) | ✔ | 10 | 84 | 3 | 0.0 | 0.010 | 0.517 | (1;000) | ✗ | 02/02/17 |
Ba(CuSe)2 | COD | 1521194 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.4905 | 0.491 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(CuTe)2 | ICSD | 51444 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.4661 | 0.483 | 0.000 | (0;000) | ✗ | 02/02/17 |
FeAgO2 | COD | 2105341 | P6_3/mmc (194) | ✔ | 8 | 62 | 3 | 0.0 | 0.003 | 0.665 | (0;000) | ✗ | 05/01/17 |
Ba(Cu2P)4 | ICSD | 66016 | I4/m (87) | ✔ | 13 | 118 | 3 | 0.0 | 0.005 | 0.981 | (1;111) | ✗ | 02/02/17 |
Si2N2O | ICSD | 66539 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.1366 | 5.137 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaCuN | COD | 1005050 | C2/c (15) | ✔ | 18 | 156 | 3 | 0.0 | 0.029 | 0.020 | (1;110) | ✗ | 02/02/17 |
MgCd3 | COD | 4123953 | P6_3/mmc (194) | ✔ | 8 | 92 | 3 | 0.0 | 0.002 | 0.554 | (1;000) | ✗ | 27/01/17 |
Bi(BO2)3 | ICSD | 48025 | C2 (5) | ✗ | 10 | 50 | 3 | 3.639 | 4.023 | 0.000 | (0;000) | ✗ | 06/10/16 |
BiPt | ICSD | 58845 | P6_3/mmc (194) | ✔ | 4 | 30 | 3 | 0.0 | 0.000 | 0.879 | (1;000) | ✗ | 06/10/16 |
SrCd2 | COD | 1524728 | Imma (74) | ✔ | 6 | 68 | 3 | 0.0 | 0.012 | 0.472 | (0;111) | ✗ | 27/01/17 |
Bi(BO2)3 | ICSD | 173745 | C2 (5) | ✗ | 10 | 50 | 3 | 3.5492 | 3.755 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaCuSn2 | ICSD | 58648 | Cmcm (63) | ✔ | 8 | 98 | 3 | 0.0 | 0.000 | 0.864 | (1;000) | ✗ | 02/02/17 |
GaAgO2 | COD | 1509345 | P6_3/mmc (194) | ✔ | 8 | 72 | 3 | 0.6743 | 1.783 | 0.000 | (0;000) | ✗ | 05/01/17 |
FeSn | COD | 1523159 | P6/mmm (191) | ✔ | 6 | 66 | 3 | 0.0 | 0.000 | 0.922 | (1;000) | ✗ | 27/01/17 |
FeSn2 | COD | 1524518 | I4/mcm (140) | ✔ | 6 | 72 | 3 | 0.0 | 0.010 | 0.417 | (0;000) | ✗ | 27/01/17 |
Bi2O3 | ICSD | 422451 | P6_3mc (186) | ✗ | 20 | 112 | 3 | 1.424 | 1.583 | 0.000 | (0;000) | ✗ | 06/10/16 |
Bi(BO2)3 | ICSD | 173746 | P1 (1) | ✗ | 10 | 50 | 3 | 2.2969 | 2.382 | 0.000 | (0;000) | ✗ | 06/10/16 |
HfAg | ICSD | 605330 | P4/nmm (129) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.851 | (1;001) | ✗ | 05/01/17 |
In2Ag | COD | 1509415 | I4/mcm (140) | ✔ | 6 | 74 | 3 | 0.0 | 0.000 | 0.848 | (1;111) | ✗ | 05/01/17 |
Bi(BO2)3 | ICSD | 245889 | C2 (5) | ✗ | 10 | 50 | 3 | 3.625 | 4.005 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba(FeSb3)4 | ICSD | 658735 | Im3 (204) | ✔ | 17 | 102 | 3 | 0.0 | 0.012 | 0.521 | (0;000) | ✗ | 02/02/17 |
InAgO2 | COD | 1509396 | P6_3/mmc (194) | ✔ | 8 | 72 | 3 | 0.1911 | 0.864 | 0.000 | (0;000) | ✗ | 05/01/17 |
InAgO2 | COD | 1509397 | R-3m (166) | ✔ | 4 | 36 | 3 | 0.352 | 1.070 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba(GaPt)2 | ICSD | 50160 | P2_1/c (14) | ✔ | 20 | 224 | 3 | 0.0 | 0.082 | 0.520 | (1;001) | ✗ | 02/02/17 |
ZrFeSi | ICSD | 633674 | Pnma (62) | ✔ | 12 | 64 | 3 | 0.0 | 0.092 | 0.200 | (0;000) | ✗ | 27/01/17 |
Bi(BO2)3 | ICSD | 245890 | C2 (5) | ✗ | 10 | 50 | 3 | 3.6363 | 4.007 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba(Ge3Pt)4 | ICSD | 174551 | Im3 (204) | ✔ | 17 | 98 | 3 | 0.0 | 0.028 | 0.522 | (1;000) | ✗ | 02/02/17 |
InAgS2 | COD | 7209342 | R-3m (166) | ✔ | 4 | 36 | 3 | 0.5537 | 0.696 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba(GeRu)2 | ICSD | 77143 | Fddd (70) | ✔ | 10 | 100 | 3 | 0.0 | 0.023 | 0.187 | (1;111) | ✗ | 02/02/17 |
InAgSe2 | ICSD | 604401 | R-3m (166) | ✔ | 4 | 36 | 3 | 0.0 | 0.022 | 0.399 | (0;000) | ✗ | 05/01/17 |
YFeSi | ICSD | 633643 | P4/nmm (129) | ✔ | 6 | 46 | 3 | 0.0 | 0.000 | 0.881 | (1;000) | ✗ | 27/01/17 |
BaGe6 | COD | 4341768 | Cmcm (63) | ✔ | 14 | 68 | 3 | 0.0 | 0.005 | 0.938 | (0;110) | ✗ | 02/02/17 |
Ag | COD | 1509194 | P6_3/mmc (194) | ✔ | 4 | 44 | 3 | 0.0 | 0.004 | 0.873 | (1;000) | ✗ | 05/01/17 |
Bi(BO2)3 | ICSD | 245892 | C2 (5) | ✗ | 10 | 50 | 3 | 3.6481 | 4.036 | 0.000 | (0;000) | ✗ | 06/10/16 |
FeSn | ICSD | 150691 | P6_3/mmc (194) | ✔ | 4 | 44 | 3 | 0.0 | 0.012 | 0.493 | (1;000) | ✗ | 27/01/17 |
VAs2 | ICSD | 611574 | C2/m (12) | ✔ | 6 | 46 | 3 | 0.0 | 0.020 | 0.148 | (0;111) | ✔ | 05/01/17 |
Bi(BO2)3 | ICSD | 245893 | C2 (5) | ✗ | 10 | 50 | 3 | 3.6325 | 4.010 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaHfS3 | ICSD | 615918 | Pnma (62) | ✔ | 20 | 160 | 3 | 1.2402 | 1.240 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiAg | ICSD | 247145 | I4_1/amd (141) | ✔ | 4 | 28 | 3 | 0.0 | 0.025 | 0.646 | (1;111) | ✗ | 05/01/17 |
MgAgSb | ICSD | 187150 | P4/nmm (129) | ✔ | 6 | 52 | 3 | 0.0 | 0.009 | 0.235 | (1;000) | ✗ | 05/01/17 |
BaIn2Ir | ICSD | 414434 | Cmcm (63) | ✔ | 8 | 106 | 3 | 0.0 | 0.000 | 0.789 | (0;000) | ✗ | 02/02/17 |
BiRh | ICSD | 109109 | P6_3/mmc (194) | ✔ | 4 | 44 | 3 | 0.0 | 0.010 | 0.572 | (0;000) | ✗ | 06/10/16 |
BaIn2Pt | ICSD | 411228 | Cmcm (63) | ✔ | 8 | 92 | 3 | 0.0 | 0.036 | 0.481 | (1;000) | ✗ | 02/02/17 |
BaIn2Rh | ICSD | 411232 | Cmcm (63) | ✔ | 8 | 106 | 3 | 0.0 | 0.000 | 0.869 | (0;110) | ✗ | 02/02/17 |
AgN3 | COD | 1010308 | I4/mcm (140) | ✔ | 8 | 52 | 3 | 1.6092 | 1.609 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaIn4Ir | COD | 4305632 | Pmma (51) | ✔ | 12 | 158 | 3 | 0.0 | 0.000 | 0.878 | (0;000) | ✗ | 02/02/17 |
Ba(SiIr)2 | ICSD | 50159 | P2_1/c (14) | ✔ | 20 | 208 | 3 | 0.0 | 0.225 | 0.604 | (0;000) | ✗ | 02/02/17 |
Bi(BO2)3 | ICSD | 245894 | C2 (5) | ✗ | 10 | 50 | 3 | 3.6372 | 4.021 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba(MgPb)2 | ICSD | 25338 | P4/nmm (129) | ✔ | 10 | 116 | 3 | 0.0 | 0.023 | 0.350 | (0;001) | ✗ | 02/02/17 |
BaYMn2O6 | ICSD | 154011 | C2/m (12) | ✔ | 20 | 174 | 3 | 0.0 | 0.004 | 0.750 | (0;001) | ✗ | 02/02/17 |
BaMnO3 | ICSD | 23874 | P6_3/mmc (194) | ✔ | 20 | 172 | 3 | 0.0 | 0.010 | 0.301 | (0;000) | ✗ | 02/02/17 |
ScBi | ICSD | 58856 | Fm-3m (225) | ✔ | 2 | 26 | 3 | 0.0 | 0.008 | 0.261 | (1;000) | ✗ | 05/01/17 |
Bi(BO2)3 | ICSD | 245895 | C2 (5) | ✗ | 10 | 50 | 3 | 3.6421 | 4.024 | 0.000 | (0;000) | ✗ | 06/10/16 |
NbAgO3 | ICSD | 55649 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 1.4258 | 1.496 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba(MoSe)3 | ICSD | 615982 | P6_3/m (176) | ✔ | 14 | 140 | 3 | 0.0 | 0.001 | 0.671 | (0;000) | ✗ | 02/02/17 |
Ba(TeMo)3 | ICSD | 603674 | P6_3/m (176) | ✔ | 14 | 140 | 3 | 0.0 | 0.001 | 0.674 | (1;000) | ✗ | 02/02/17 |
Ba(Mo3S4)2 | COD | 9007736 | R-3 (148) | ✔ | 15 | 142 | 3 | 0.0 | 0.036 | 0.438 | (1;000) | ✗ | 02/02/17 |