▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TiCl3 | ICSD | 38236 | R-3 (148) | ✔ | 8 | 66 | 2 | 0.0 | 0.009 | 0.695 | (0;000) | ✗ | 06/10/16 |
Al6Tc | ICSD | 58177 | Cmcm (63) | ✔ | 14 | 66 | 3 | 0.0 | 0.000 | 1.000 | (1;000) | ✗ | 30/01/17 |
Al6Re | ICSD | 58149 | Cmcm (63) | ✔ | 14 | 66 | 3 | 0.0 | 0.000 | 0.578 | (1;000) | ✗ | 30/01/17 |
Si2Mo | ICSD | 182116 | P6_222 (180) | ✗ | 9 | 66 | 3 | 0.0485 | 0.512 | 0.000 | (0;000) | ✔ | 06/10/16 |
VH2O3 | ICSD | 16727 | C2/c (15) | ✔ | 12 | 66 | 2 | 0.0 | 0.000 | 0.336 | (1;101) | ✗ | 27/01/17 |
Ca3ZnSe4 | ICSD | 167833 | P-43m (215) | ✗ | 8 | 66 | 1 | 1.9339 | 2.000 | 0.000 | (0;000) | ✗ | 06/10/16 |
CrSi2 | ICSD | 96026 | P6_422 (181) | ✗ | 9 | 66 | 3 | 0.3265 | 0.494 | 0.000 | (0;000) | ✔ | 06/10/16 |
CaSn(BO3)2 | COD | 9009324 | R-3 (148) | ✔ | 10 | 66 | 2 | 4.1999 | 4.540 | 0.000 | (0;000) | ✗ | 05/01/17 |
MgSn(BO3)2 | ICSD | 28266 | R-3 (148) | ✔ | 10 | 66 | 3 | 2.8625 | 2.973 | 0.000 | (0;000) | ✗ | 05/01/17 |
SrSn(BO3)2 | ICSD | 28267 | R-3 (148) | ✔ | 10 | 66 | 2 | 2.234 | 2.378 | 0.000 | (0;000) | ✗ | 05/01/17 |
CuGeO3 | ICSD | 16834 | Pmcm (51) | ✔ | 10 | 66 | 3 | 0.0 | 0.000 | 0.683 | (1;010) | ✗ | 06/10/16 |
BaCrF6 | COD | 1525278 | R-3m (166) | ✔ | 8 | 66 | 1 | 0.0 | 0.000 | 0.174 | (0;000) | ✗ | 05/01/17 |
P2O7F2 | COD | 2300034 | P-1 (2) | ✔ | 11 | 66 | 1 | 0.0 | 0.005 | 0.667 | (1;000) | ✗ | 27/01/17 |
BaPbF6 | ICSD | 25521 | R-3m (166) | ✔ | 8 | 66 | 1 | 3.4266 | 3.427 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaSnF6 | ICSD | 33788 | R-3 (148) | ✔ | 8 | 66 | 1 | 5.7036 | 5.704 | 0.000 | (0;000) | ✗ | 05/01/17 |
AlPt3 | ICSD | 656679 | I4/mcm (140) | ✔ | 8 | 66 | 3 | 0.0 | 0.001 | 0.579 | (0;111) | ✗ | 30/01/17 |
AlPt3 | ICSD | 107439 | P4/mbm (127) | ✔ | 8 | 66 | 3 | 0.0 | 0.000 | 0.715 | (1;001) | ✗ | 30/01/17 |
Ba(P2Pd)2 | ICSD | 75020 | I4/mmm (139) | ✔ | 7 | 66 | 2 | 0.0 | 0.025 | 0.332 | (0;000) | ✗ | 05/01/17 |
TiPd3 | COD | 1522883 | Pm-3m (221) | ✔ | 4 | 66 | 3 | 0.0 | 0.000 | 0.376 | (1;111) | ✗ | 27/01/17 |
Be12Pd | ICSD | 109314 | I4/mmm (139) | ✔ | 13 | 66 | 1 | 0.0 | 0.002 | 0.476 | (1;000) | ✗ | 05/01/17 |
TiCdF6 | COD | 1527894 | R-3 (148) | ✔ | 8 | 66 | 3 | 0.1564 | 0.162 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgPbF6 | COD | 1527518 | R-3 (148) | ✔ | 8 | 66 | 3 | 2.8342 | 2.880 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cr3Se4 | COD | 1008921 | C2/m (12) | ✔ | 7 | 66 | 3 | 0.0 | 0.004 | 0.716 | (0;001) | ✗ | 27/01/17 |
HfBRh3 | ICSD | 614447 | Pm-3m (221) | ✔ | 5 | 66 | 3 | 0.0451 | 0.109 | 0.000 | (0;111) | ✗ | 05/01/17 |
CsBiF6 | COD | 1527499 | R-3 (148) | ✔ | 8 | 66 | 1 | 4.0108 | 4.011 | 0.000 | (0;000) | ✗ | 05/01/17 |
NaBiF6 | COD | 1527497 | R-3 (148) | ✔ | 8 | 66 | 1 | 2.9849 | 3.074 | 0.000 | (0;000) | ✗ | 05/01/17 |
RbBiF6 | COD | 1527498 | R-3 (148) | ✔ | 8 | 66 | 1 | 4.8559 | 4.856 | 0.000 | (0;000) | ✗ | 05/01/17 |
LiYGa4 | ICSD | 98666 | P-6m2 (187) | ✗ | 6 | 66 | 3 | 0.0 | 0.004 | 0.244 | (0;000) | ✔ | 05/12/16 |
ReO3 | ICSD | 202338 | P6_322 (182) | ✗ | 8 | 66 | 3 | 0.0 | 0.001 | 0.569 | (1;101) | ✔ | 06/10/16 |
BiPd | COD | 9004224 | P6_3/mmc (194) | ✔ | 4 | 66 | 3 | 0.0 | 0.000 | 0.833 | (1;000) | ✗ | 05/01/17 |
Mn2B | COD | 1511237 | I4/mcm (140) | ✔ | 6 | 66 | 3 | 0.0 | 0.000 | 0.530 | (1;111) | ✗ | 27/01/17 |
HgPb2(ClO)2 | ICSD | 74973 | C2/m (12) | ✔ | 7 | 66 | 2 | 2.0457 | 2.198 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiBO3 | COD | 8103469 | R-3c (167) | ✔ | 10 | 66 | 3 | 0.0 | 0.000 | 0.815 | (0;000) | ✗ | 27/01/17 |
Cr3S4 | COD | 9007442 | C2/m (12) | ✔ | 7 | 66 | 3 | 0.0 | 0.005 | 0.538 | (0;001) | ✗ | 27/01/17 |
NiPbF6 | COD | 1527520 | R-3 (148) | ✔ | 8 | 66 | 3 | 0.0 | 0.011 | 0.396 | (0;000) | ✗ | 27/01/17 |
Zr2CoSi2 | ICSD | 653752 | C2/m (12) | ✔ | 10 | 66 | 3 | 0.0 | 0.009 | 0.595 | (0;111) | ✗ | 27/01/17 |
NiSnF6 | ICSD | 25015 | R-3 (148) | ✔ | 8 | 66 | 3 | 0.0 | 0.000 | 0.415 | (0;000) | ✗ | 27/01/17 |
PtPbF6 | ICSD | 4057 | R-3m (166) | ✔ | 8 | 66 | 3 | 1.7818 | 1.946 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgCd(CO3)2 | COD | 9000106 | R-3 (148) | ✔ | 10 | 66 | 3 | 0.0 | 0.013 | 0.276 | (1;111) | ✗ | 27/01/17 |
ScCrC2 | ICSD | 80373 | P6_3/mmc (194) | ✔ | 8 | 66 | 3 | 0.0 | 0.000 | 0.951 | (1;000) | ✗ | 27/01/17 |
CuH2C2BrN | COD | 7052608 | P-1 (2) | ✔ | 14 | 66 | 3 | 0.8149 | 1.037 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbI2O | ICSD | 36255 | C2 (5) | ✗ | 8 | 66 | 2 | 0.8298 | 0.837 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sc3CoC4 | COD | 2300492 | Immm (71) | ✔ | 8 | 66 | 3 | 0.0 | 0.006 | 0.545 | (1;111) | ✗ | 27/01/17 |
Sc3IrC4 | ICSD | 415137 | Immm (71) | ✔ | 8 | 66 | 3 | 0.0 | 0.024 | 0.504 | (1;111) | ✗ | 27/01/17 |
Sc3IrC4 | ICSD | 657402 | Immm (71) | ✔ | 8 | 66 | 3 | 0.0 | 0.020 | 0.462 | (1;111) | ✗ | 27/01/17 |
Sc3RhC4 | ICSD | 657400 | Immm (71) | ✔ | 8 | 66 | 3 | 0.0 | 0.009 | 0.520 | (1;111) | ✗ | 27/01/17 |
Li5ReO6 | ICSD | 74982 | C2/m (12) | ✔ | 12 | 66 | 1 | 2.3121 | 2.393 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaCrF6 | COD | 1525280 | R-3 (148) | ✔ | 8 | 66 | 1 | 0.0 | 0.021 | 0.350 | (0;000) | ✗ | 27/01/17 |
GaNi2 | ICSD | 634869 | P6_3/mmc (194) | ✔ | 6 | 66 | 3 | 0.0 | 0.000 | 0.978 | (0;000) | ✗ | 27/01/17 |
Cr3Te4 | ICSD | 626873 | C2/m (12) | ✔ | 7 | 66 | 2 | 0.0 | 0.012 | 0.181 | (1;000) | ✗ | 27/01/17 |
Cr3Te4 | ICSD | 626884 | C2/m (12) | ✔ | 7 | 66 | 3 | 0.0 | 0.009 | 0.299 | (0;000) | ✗ | 27/01/17 |
TaPt2 | ICSD | 105802 | Ccmm (63) | ✔ | 6 | 66 | 3 | 0.0 | 0.000 | 0.632 | (1;110) | ✗ | 06/10/16 |
CaPbF6 | ICSD | 25522 | Fm-3m (225) | ✔ | 8 | 66 | 3 | 3.1951 | 3.195 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaSnF6 | ICSD | 35713 | Fm-3m (225) | ✔ | 8 | 66 | 1 | 6.1583 | 6.158 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2As3 | ICSD | 409382 | Fmmm (69) | ✔ | 10 | 66 | 1 | 0.4415 | 0.442 | 0.000 | (0;000) | ✗ | 30/01/17 |
Nb2AlC | ICSD | 606236 | P6_3/mmc (194) | ✔ | 8 | 66 | 3 | 0.0 | 0.000 | 0.888 | (1;000) | ✗ | 27/01/17 |
Ta2AlC | ICSD | 606258 | P6_3/mmc (194) | ✔ | 8 | 66 | 3 | 0.0 | 0.000 | 0.900 | (1;000) | ✗ | 27/01/17 |
AlV2C | ICSD | 606283 | P6_3/mmc (194) | ✔ | 8 | 66 | 3 | 0.0 | 0.000 | 0.902 | (1;000) | ✗ | 27/01/17 |
SrCuO2 | COD | 1525982 | Cmcm (63) | ✔ | 8 | 66 | 3 | 0.0 | 0.000 | 0.961 | (0;110) | ✗ | 27/01/17 |
SrCrF6 | COD | 1525279 | R-3m (166) | ✔ | 8 | 66 | 1 | 0.0 | 0.002 | 0.180 | (0;000) | ✗ | 27/01/17 |
Rb2As3 | ICSD | 409381 | Fmmm (69) | ✔ | 10 | 66 | 1 | 0.3972 | 0.403 | 0.000 | (0;000) | ✗ | 30/01/17 |
MgCrF6 | COD | 1525281 | R-3 (148) | ✔ | 8 | 66 | 3 | 0.0 | 0.021 | 0.431 | (0;000) | ✗ | 27/01/17 |
Si2W | ICSD | 652549 | P6_222 (180) | ✗ | 9 | 66 | 3 | 0.0 | 0.481 | 0.083 | (0;000) | ✔ | 06/10/16 |
ScRh3C | ICSD | 77385 | Pm-3m (221) | ✔ | 5 | 66 | 3 | 0.0 | 0.000 | 0.137 | (0;111) | ✗ | 27/01/17 |
TaPt2 | COD | 1523693 | Cmcm (63) | ✔ | 6 | 66 | 3 | 0.0 | 0.000 | 0.632 | (1;110) | ✗ | 27/01/17 |
VP4 | ICSD | 38315 | C2/c (15) | ✔ | 10 | 66 | 2 | 0.0 | 0.000 | 0.729 | (1;011) | ✗ | 27/01/17 |
ScZnPt | ICSD | 424600 | Cmcm (63) | ✔ | 6 | 66 | 3 | 0.0 | 0.000 | 0.614 | (0;110) | ✗ | 27/01/17 |
GeTe7As4 | ICSD | 41107 | P-3m1 (164) | ✔ | 12 | 66 | 2 | 0.0 | 0.012 | 0.072 | (1;001) | ✗ | 30/01/17 |
CrGa4 | ICSD | 626026 | Im-3m (229) | ✔ | 5 | 66 | 3 | 0.0 | 0.000 | 0.153 | (0;000) | ✗ | 27/01/17 |
CrSi2 | ICSD | 16836 | P6_222 (180) | ✗ | 9 | 66 | 3 | 0.3285 | 0.492 | 0.000 | (0;000) | ✔ | 06/10/16 |
YSi3Ni | ICSD | 9933 | C2mm (38) | ✗ | 10 | 66 | 3 | 0.0 | 0.009 | 0.795 | ? | ✗ | 06/10/16 |
ScIr3C | ICSD | 77044 | Pm-3m (221) | ✔ | 5 | 66 | 3 | 0.0 | 0.012 | 0.378 | (1;000) | ✗ | 27/01/17 |
SiCuO3 | ICSD | 89669 | Pmma (51) | ✔ | 10 | 66 | 3 | 0.0 | 0.000 | 0.860 | (0;100) | ✗ | 27/01/17 |
YRh3C | ICSD | 77389 | Pm-3m (221) | ✔ | 5 | 66 | 3 | 0.0 | 0.000 | 0.259 | (0;111) | ✗ | 27/01/17 |
Li(YSi)2 | ICSD | 8160 | P4/mbm (127) | ✔ | 10 | 66 | 3 | 0.0 | 0.000 | 0.896 | (1;111) | ✗ | 02/02/17 |
Cs2TeI6 | ICSD | 38105 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 1.0948 | 1.391 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsCo(CO)4 | ICSD | 31359 | I-4 (82) | ✗ | 10 | 66 | 2 | 3.736 | 3.877 | 0.000 | (0;000) | ✗ | 15/02/17 |
RbHg2 | ICSD | 408698 | Imma (74) | ✔ | 6 | 66 | 3 | 0.0 | 0.000 | 0.587 | (1;110) | ✗ | 02/02/17 |
AsS | COD | 4343657 | Cmc2_1 (36) | ✗ | 12 | 66 | 1 | 0.0 | 0.000 | 0.732 | ? | ✗ | 21/03/17 |
Sn(NCl3)2 | COD | 9015542 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 0.0 | 0.000 | 0.534 | (1;000) | ✗ | 02/02/17 |
LiScAs2O7 | ICSD | 161499 | C2 (5) | ✗ | 11 | 66 | 3 | 4.194 | 4.317 | 0.000 | (0;000) | ✗ | 15/02/17 |
Rb2SeCl6 | COD | 1010221 | Fm-3m (225) | ✔ | 9 | 66 | 1 | 2.4927 | 2.728 | 0.000 | (0;000) | ✗ | 02/02/17 |
GeSb4Te7 | ICSD | 42875 | P-3m1 (164) | ✔ | 12 | 66 | 2 | 0.056 | 0.111 | 0.000 | (1;001) | ✗ | 02/02/17 |
Tl2SiHgSe4 | ICSD | 247763 | I-42m (121) | ✗ | 8 | 66 | 3 | 0.5765 | 0.583 | 0.000 | (0;000) | ✗ | 29/03/17 |
Rb2TeCl6 | COD | 1010232 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 2.5055 | 2.733 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlFeSe2 | COD | 1524708 | C2/m (12) | ✔ | 8 | 66 | 2 | 0.0 | 0.016 | 0.372 | (0;000) | ✗ | 02/02/17 |
Rb2TeBr6 | ICSD | 49522 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 1.8651 | 2.124 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaSi6 | ICSD | 237248 | Cmcm (63) | ✔ | 14 | 66 | 3 | 0.0 | 0.000 | 0.792 | (0;111) | ✗ | 02/02/17 |
H5(C2O)2 | COD | 4113701 | P-1 (2) | ✔ | 22 | 66 | 1 | 2.693 | 2.728 | 0.000 | (0;000) | ✗ | 04/08/17 |
Cs3O | COD | 1528149 | P6_3/mcm (193) | ✔ | 8 | 66 | 1 | 0.0 | 0.000 | 0.699 | (1;001) | ✗ | 02/02/17 |
K2P3 | ICSD | 33259 | Fmmm (69) | ✔ | 10 | 66 | 1 | 0.6919 | 0.692 | 0.000 | (0;000) | ✗ | 02/02/17 |
K5CuSb2 | ICSD | 32032 | R-3m (166) | ✔ | 8 | 66 | 1 | 0.7123 | 0.859 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2CdGeTe4 | COD | 4000657 | I-42m (121) | ✗ | 8 | 66 | 3 | 0.0 | 0.139 | 0.086 | (0;000) | ✔ | 22/03/17 |
GaC5 | COD | 4110964 | P-42c (112) | ✗ | 12 | 66 | 3 | 0.0 | 0.000 | 0.575 | ? | ✗ | 21/03/17 |
H4C3N2Cl | COD | 2005472 | C2/m (12) | ✔ | 20 | 66 | 1 | 2.2005 | 2.250 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2SeBr6 | COD | 1010627 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 1.6082 | 1.983 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2HgGeTe4 | COD | 4000659 | I-42m (121) | ✗ | 8 | 66 | 3 | 0.0 | 0.076 | 0.127 | (0;000) | ✔ | 11/04/17 |
SbTe | ICSD | 20459 | P-3m1 (164) | ✔ | 12 | 66 | 2 | 0.0 | 0.110 | 0.056 | (1;001) | ✗ | 02/02/17 |
Li2Sb | COD | 7221229 | P-62c (190) | ✗ | 18 | 66 | 1 | 0.0 | 0.000 | 0.835 | ? | ✗ | 29/03/17 |
Pb(NCl3)2 | COD | 9016622 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 0.0 | 0.000 | 0.548 | (1;000) | ✗ | 02/02/17 |