▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
YI3 | ICSD | 170773 | R-3 (148) | ✔ | 8 | 64 | 2 | 2.4263 | 2.773 | 0.000 | (0;000) | ✗ | 06/10/16 |
CoB | COD | 9008945 | Pnma (62) | ✔ | 8 | 80 | 3 | 0.0 | 0.039 | 0.086 | (0;000) | ✗ | 05/01/17 |
Mg3Pd | ICSD | 642752 | P6_3/mmc (194) | ✔ | 8 | 96 | 3 | 0.0 | 0.012 | 0.750 | (1;000) | ✗ | 27/01/17 |
Mg3Pt | COD | 1523605 | P6_3/mmc (194) | ✔ | 8 | 80 | 3 | 0.0 | 0.009 | 0.729 | (0;000) | ✗ | 27/01/17 |
CoGe | ICSD | 43677 | C2/m (12) | ✔ | 8 | 84 | 3 | 0.0 | 0.012 | 0.780 | (0;000) | ✗ | 27/01/17 |
BeAu | ICSD | 58396 | P2_13 (198) | ✗ | 8 | 60 | 3 | 0.0 | 0.000 | 0.475 | (1;111) | ✔ | 06/10/16 |
InS | ICSD | 15931 | Pnnm (58) | ✔ | 8 | 76 | 3 | 0.6548 | 1.429 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2O2 | COD | 1514085 | P6_3/mmc (194) | ✔ | 8 | 36 | 3 | 0.0 | 0.017 | 0.358 | (1;000) | ✗ | 27/01/17 |
MgMoN2 | COD | 7208132 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 0.0 | 1.535 | 0.119 | (0;000) | ✗ | 27/01/17 |
SiIr | ICSD | 15693 | Pmnb (62) | ✔ | 8 | 52 | 3 | 0.0 | 0.001 | 0.343 | (0;011) | ✗ | 06/10/16 |
ZrIr | ICSD | 163453 | Cmcm (63) | ✔ | 8 | 84 | 3 | 0.0 | 0.017 | 0.492 | (1;000) | ✗ | 27/01/17 |
BeMo3 | ICSD | 58715 | Pm-3n (223) | ✔ | 8 | 92 | 3 | 0.0 | 0.008 | 0.403 | (0;000) | ✗ | 05/01/17 |
PbO | COD | 2310433 | Pbcm (57) | ✔ | 8 | 80 | 2 | 1.8544 | 2.040 | 0.000 | (0;000) | ✗ | 27/01/17 |
BeO | COD | 2310674 | P4_2/mnm (136) | ✔ | 8 | 40 | 1 | 6.9696 | 6.970 | 0.000 | (0;000) | ✗ | 05/01/17 |
K2O2 | ICSD | 180559 | Ccme (64) | ✔ | 8 | 60 | 1 | 2.5679 | 2.644 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrTiN2 | ICSD | 85770 | P4/nmm (129) | ✔ | 8 | 64 | 2 | 0.7908 | 0.791 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeB | ICSD | 33577 | Pnma (62) | ✔ | 8 | 44 | 3 | 0.0 | 0.000 | 0.520 | (0;011) | ✗ | 05/01/17 |
FeB | COD | 1010477 | Pnma (62) | ✔ | 8 | 44 | 3 | 0.0 | 0.001 | 0.652 | (0;011) | ✗ | 05/01/17 |
FeB | COD | 1011336 | Pnma (62) | ✔ | 8 | 44 | 3 | 0.0 | 0.000 | 0.776 | (0;011) | ✗ | 05/01/17 |
HPbClO | COD | 9009482 | C2/m (12) | ✔ | 8 | 56 | 1 | 2.6542 | 2.661 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrZnSbF | ICSD | 189935 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.0103 | 0.016 | 0.000 | (0;000) | ✗ | 27/01/17 |
KCuO2 | COD | 1530993 | Cmcm (63) | ✔ | 8 | 64 | 2 | 0.923 | 1.302 | 0.000 | (0;000) | ✗ | 27/01/17 |
YBi2BrO4 | ICSD | 92418 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 1.1464 | 1.579 | 0.000 | (0;000) | ✗ | 05/01/17 |
InCuO2 | COD | 1531594 | P6_3/mmc (194) | ✔ | 8 | 72 | 3 | 0.1846 | 0.515 | 0.000 | (0;000) | ✗ | 27/01/17 |
InBi2S4Cl | ICSD | 484 | C2/m (12) | ✔ | 8 | 74 | 2 | 1.5901 | 1.742 | 0.000 | (0;000) | ✗ | 05/01/17 |
YBi2ClO4 | ICSD | 92405 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 1.2683 | 1.494 | 0.000 | (0;000) | ✗ | 05/01/17 |
LaS | ICSD | 77831 | Ccme (64) | ✔ | 8 | 36 | 2 | 0.0 | 0.000 | 0.635 | (1;000) | ✗ | 06/10/16 |
K3Sb2Au3 | COD | 1510504 | R-3m (166) | ✔ | 8 | 70 | 2 | 0.7493 | 0.749 | 0.000 | (0;000) | ✗ | 30/01/17 |
LaSi | ICSD | 408030 | Ccmm (63) | ✔ | 8 | 28 | 3 | 0.0 | 0.019 | 0.484 | (0;000) | ✗ | 06/10/16 |
TlF | COD | 1520823 | Pbcm (57) | ✔ | 8 | 80 | 2 | 2.8245 | 2.913 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb3Sb2Au3 | COD | 1510512 | R-3m (166) | ✔ | 8 | 70 | 2 | 1.0302 | 1.161 | 0.000 | (0;000) | ✗ | 30/01/17 |
LaTe3 | ICSD | 642014 | Ccmm (63) | ✔ | 8 | 42 | 2 | 0.0 | 0.000 | 0.968 | (1;000) | ✗ | 06/10/16 |
O2 | ICSD | 236857 | C2/m (12) | ✔ | 8 | 48 | 1 | 0.0 | 0.401 | 0.146 | (0;000) | ✗ | 27/01/17 |
CsBiF6 | COD | 1527499 | R-3 (148) | ✔ | 8 | 66 | 1 | 4.0108 | 4.011 | 0.000 | (0;000) | ✗ | 05/01/17 |
CsBiO2 | ICSD | 406564 | C2/c (15) | ✔ | 8 | 72 | 1 | 2.3819 | 2.391 | 0.000 | (0;000) | ✗ | 05/01/17 |
CuBiSeO | ICSD | 75128 | P4/nmm (129) | ✔ | 8 | 76 | 3 | 0.0992 | 0.171 | 0.000 | (0;000) | ✗ | 05/01/17 |
CuBiTeO | ICSD | 187824 | P4/nmm (129) | ✔ | 8 | 76 | 3 | 0.0 | 0.011 | 0.156 | (1;001) | ✗ | 05/01/17 |
BaAu | COD | 1510584 | Pnma (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.005 | 0.453 | (1;011) | ✗ | 30/01/17 |
K2BiAu | ICSD | 380341 | Cmcm (63) | ✔ | 8 | 88 | 1 | 0.8724 | 1.008 | 0.000 | (0;000) | ✗ | 30/01/17 |
Li2O2 | ICSD | 24143 | P6_3/mmc (194) | ✔ | 8 | 36 | 2 | 2.7201 | 2.720 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiBiF6 | COD | 1527496 | R-3 (148) | ✔ | 8 | 60 | 1 | 4.6256 | 4.696 | 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 |
AuBr | COD | 1510609 | I4_1/amd (141) | ✔ | 8 | 72 | 3 | 1.431 | 1.431 | 0.000 | (0;000) | ✗ | 30/01/17 |
AuBr | COD | 1510610 | P4_2/ncm (138) | ✔ | 8 | 72 | 2 | 1.7201 | 1.721 | 0.000 | (0;000) | ✗ | 30/01/17 |
Mg3Sn | ICSD | 70069 | P-1 (2) | ✔ | 8 | 88 | 3 | 0.0 | 0.000 | 0.622 | (1;001) | ✗ | 06/10/16 |
SrCuO2 | COD | 1525982 | Cmcm (63) | ✔ | 8 | 66 | 3 | 0.0 | 0.000 | 0.961 | (0;110) | ✗ | 27/01/17 |
KBiO2 | COD | 1528047 | C2/c (15) | ✔ | 8 | 72 | 1 | 1.2352 | 1.245 | 0.000 | (0;000) | ✗ | 05/01/17 |
ScGa2Ni | COD | 1522446 | Cmcm (63) | ✔ | 8 | 94 | 3 | 0.0 | 0.000 | 0.889 | (0;000) | ✗ | 27/01/17 |
YGa2Ni | COD | 1523101 | Cmcm (63) | ✔ | 8 | 94 | 3 | 0.0 | 0.000 | 0.900 | (0;000) | ✗ | 27/01/17 |