▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Al2FeO4 | COD | 9000939 | Fd-3m (227) | ✔ | 14 | 76 | 3 | 0.0 | 0.004 | 0.336 | (0;000) | ✗ | 05/01/17 |
LiCO2 | ICSD | 173993 | P2_1/c (14) | ✔ | 16 | 76 | 1 | 3.6516 | 3.677 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaInS2 | ICSD | 640379 | P6_3/mmc (194) | ✔ | 8 | 76 | 3 | 0.0 | 0.160 | 0.073 | (0;000) | ✗ | 27/01/17 |
BaNiO3 | ICSD | 15761 | Ccm2_1 (36) | ✗ | 10 | 76 | 1 | 1.009 | 1.179 | 0.000 | (0;000) | ✗ | 06/10/16 |
FeSO4 | ICSD | 23507 | Cmcm (63) | ✔ | 12 | 76 | 3 | 0.0 | 0.071 | 0.098 | (0;000) | ✗ | 27/01/17 |
TiFeO3 | COD | 9000908 | R-3 (148) | ✔ | 10 | 76 | 3 | 0.0976 | 0.174 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrSiCu | ICSD | 87198 | Pnma (62) | ✔ | 12 | 76 | 3 | 0.0 | 0.000 | 0.324 | (0;011) | ✗ | 27/01/17 |
Cu3P | COD | 1528021 | P-3m1 (164) | ✔ | 8 | 76 | 3 | 0.0 | 0.013 | 0.548 | (1;000) | ✗ | 27/01/17 |
InS | COD | 9008787 | Pnma (62) | ✔ | 8 | 76 | 3 | 0.0 | 0.001 | 0.559 | (0;011) | ✗ | 27/01/17 |
FeTeAs | ICSD | 610529 | P2_1/c (14) | ✔ | 12 | 76 | 3 | 0.5659 | 0.631 | 0.000 | (0;000) | ✗ | 30/01/17 |
CrP | COD | 9008930 | Pnma (62) | ✔ | 8 | 76 | 3 | 0.0 | 0.000 | 0.480 | (1;011) | ✗ | 27/01/17 |
K2OsBr6 | COD | 1011312 | Fm-3m (225) | ✔ | 9 | 76 | 2 | 0.0 | 0.441 | 0.133 | (0;000) | ✗ | 02/02/17 |
PtPb2 | ICSD | 54316 | I4/mcm (140) | ✔ | 6 | 76 | 3 | 0.0 | 0.050 | 0.588 | (1;111) | ✗ | 27/01/17 |
ZrIr2 | COD | 1522490 | Fd-3m (227) | ✔ | 6 | 76 | 3 | 0.0 | 0.021 | 0.584 | (0;000) | ✗ | 27/01/17 |
Sc2FeSi2 | ICSD | 76348 | C2/m (12) | ✔ | 10 | 76 | 3 | 0.0 | 0.013 | 0.449 | (1;000) | ✗ | 27/01/17 |
BaAs2Pd | ICSD | 405110 | Cmcm (63) | ✔ | 8 | 76 | 3 | 0.0 | 0.030 | 0.506 | (1;000) | ✗ | 05/01/17 |
InSe | ICSD | 640503 | P-6m2 (187) | ✗ | 8 | 76 | 2 | 0.6264 | 0.626 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cs2Al2Sb2O7 | ICSD | 154361 | P-3m1 (164) | ✔ | 13 | 76 | 2 | 3.6116 | 3.668 | 0.000 | (0;000) | ✗ | 30/01/17 |
Cd2As2O7 | COD | 9007896 | C2/m (12) | ✔ | 11 | 76 | 3 | 2.0721 | 2.542 | 0.000 | (0;000) | ✗ | 05/01/17 |
K2Al2Sb2O7 | COD | 2010514 | P-3m1 (164) | ✔ | 13 | 76 | 1 | 3.4792 | 3.657 | 0.000 | (0;000) | ✗ | 30/01/17 |
RhBr3 | ICSD | 28245 | C2/m (12) | ✔ | 8 | 76 | 2 | 1.23 | 1.361 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ti2Sn | COD | 1527932 | P6_3/mmc (194) | ✔ | 6 | 76 | 3 | 0.0 | 0.016 | 0.013 | (0;000) | ✗ | 27/01/17 |
PbSO3 | COD | 9009622 | P2_1/m (11) | ✔ | 10 | 76 | 3 | 2.8374 | 2.837 | 0.000 | (0;000) | ✗ | 27/01/17 |
TlHg(NO2)3 | COD | 1010351 | Pm3 (200) | ✔ | 11 | 76 | 3 | 0.0 | 0.000 | 0.952 | (0;111) | ✗ | 27/01/17 |
PbSeO3 | COD | 1526029 | P2_1/m (11) | ✔ | 10 | 76 | 2 | 2.6043 | 2.604 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2LiGaF6 | ICSD | 9004 | P-3m1 (164) | ✔ | 10 | 76 | 1 | 6.3658 | 6.378 | 0.000 | (0;000) | ✗ | 27/01/17 |
CrAs | COD | 9008929 | Pnma (62) | ✔ | 8 | 76 | 3 | 0.0 | 0.000 | 0.447 | (1;011) | ✗ | 05/01/17 |
Rb2Al2Sb2O7 | ICSD | 154360 | P-3m1 (164) | ✔ | 13 | 76 | 1 | 3.5646 | 3.690 | 0.000 | (0;000) | ✗ | 30/01/17 |
FeAsSe | ICSD | 610526 | P2_1/c (14) | ✔ | 12 | 76 | 3 | 0.0 | 0.021 | 0.461 | (1;010) | ✗ | 05/01/17 |
FeAsS | COD | 1010913 | P2_1/c (14) | ✔ | 12 | 76 | 3 | 0.1573 | 0.372 | 0.000 | (0;000) | ✗ | 05/01/17 |
Mg(PtO2)3 | ICSD | 35340 | Cmmm (65) | ✔ | 10 | 76 | 3 | 0.3278 | 0.359 | 0.000 | (0;000) | ✗ | 27/01/17 |
SbPbClO2 | COD | 9010005 | Cmcm (63) | ✔ | 10 | 76 | 1 | 0.0 | 1.773 | 1.000 | (0;000) | ✗ | 27/01/17 |
Al3Ni | ICSD | 58040 | Pnma (62) | ✔ | 16 | 76 | 3 | 0.0 | 0.000 | 0.540 | (1;001) | ✗ | 30/01/17 |
MoAs | ICSD | 610957 | Pnma (62) | ✔ | 8 | 76 | 3 | 0.0 | 0.000 | 0.566 | (0;011) | ✗ | 05/01/17 |
FeSbS | COD | 9000017 | P2_1/c (14) | ✔ | 12 | 76 | 3 | 0.4941 | 0.589 | 0.000 | (0;000) | ✗ | 27/01/17 |
CrP | ICSD | 42079 | Pmnb (62) | ✔ | 8 | 76 | 3 | 0.0 | 0.000 | 0.349 | (1;011) | ✗ | 06/10/16 |
Cu3Sb | ICSD | 44479 | Pmmn (59) | ✔ | 8 | 76 | 3 | 0.0 | 0.003 | 0.193 | (1;000) | ✗ | 27/01/17 |
Ca(GePt)2 | ICSD | 619327 | P2_1 (4) | ✗ | 10 | 76 | 3 | 0.0 | 0.126 | 0.862 | (0;000) | ✔ | 05/12/16 |
Cu3Sb | ICSD | 628990 | Pmnm (59) | ✔ | 8 | 76 | 3 | 0.0 | 0.012 | 0.233 | (1;000) | ✗ | 06/10/16 |
Fe(BO2)2 | ICSD | 420403 | C2/c (15) | ✔ | 14 | 76 | 3 | 0.3192 | 0.368 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2BiSbO6 | COD | 2100575 | Fm-3m (225) | ✔ | 10 | 76 | 3 | 1.6586 | 2.757 | 0.000 | (0;000) | ✗ | 05/01/17 |
ZrGa2 | ICSD | 104041 | Cmmm (65) | ✔ | 6 | 76 | 3 | 0.0 | 0.016 | 0.470 | (1;110) | ✗ | 06/10/16 |
As2Ir | ICSD | 42573 | P2_1/c (14) | ✔ | 12 | 76 | 3 | 0.9232 | 1.038 | 0.000 | (0;000) | ✗ | 06/10/16 |
Fe3Sn | ICSD | 633746 | P6_3/mmc (194) | ✔ | 8 | 76 | 3 | 0.0 | 0.000 | 0.559 | (1;000) | ✗ | 27/01/17 |
Zn2P2O7 | ICSD | 24153 | C2/m (12) | ✔ | 11 | 76 | 3 | 3.6804 | 4.229 | 0.000 | (0;000) | ✗ | 27/01/17 |
InGaSe2 | ICSD | 601131 | I4/mcm (140) | ✔ | 8 | 76 | 3 | 0.0 | 0.029 | 0.126 | (0;000) | ✗ | 27/01/17 |
KLi6TaO6 | ICSD | 73159 | R-3m (166) | ✔ | 14 | 76 | 1 | 4.4879 | 4.670 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbTl3S4 | ICSD | 600246 | I-43m (217) | ✗ | 8 | 76 | 3 | 1.8349 | 1.969 | 0.000 | (0;000) | ✗ | 06/10/16 |
Zr5AlSb3 | ICSD | 609294 | P6_3/mcm (193) | ✔ | 18 | 76 | 3 | 0.0 | 0.004 | 0.314 | (1;000) | ✗ | 30/01/17 |
Ba(SiNi)2 | COD | 7221340 | Cmcm (63) | ✔ | 10 | 76 | 3 | 0.0 | 0.019 | 0.577 | (1;000) | ✗ | 05/01/17 |