▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CaCl2 | ICSD | 51238 | Pm2_1n (31) | ✗ | 6 | 48 | 1 | 0.051 | 0.084 | 0.000 | (0;000) | ✔ | 06/10/16 |
LiGaGe | ICSD | 25310 | P6_3mc (186) | ✗ | 6 | 40 | 3 | 0.0 | 0.017 | 0.080 | (0;000) | ✔ | 06/10/16 |
IrN2 | ICSD | 160620 | Pmnn (58) | ✔ | 6 | 38 | 3 | 0.0 | 0.000 | 0.965 | (1;011) | ✗ | 06/10/16 |
Be2Nb | ICSD | 58721 | Fd-3m (227) | ✔ | 6 | 42 | 3 | 0.0 | 0.000 | 0.463 | (0;000) | ✗ | 05/01/17 |
TaBe2 | ICSD | 58739 | Fd-3m (227) | ✔ | 6 | 42 | 3 | 0.0 | 0.000 | 0.593 | (0;000) | ✗ | 05/01/17 |
SrClF | COD | 9013892 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 5.8674 | 5.867 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiBe2 | ICSD | 616463 | Fd-3m (227) | ✔ | 6 | 40 | 3 | 0.0 | 0.000 | 0.692 | (0;000) | ✗ | 05/01/17 |
HfBe5 | ICSD | 616291 | P6/mmm (191) | ✔ | 6 | 32 | 1 | 0.0 | 0.022 | 0.447 | (0;001) | ✗ | 05/01/17 |
ZrBe5 | ICSD | 58757 | P6/mmm (191) | ✔ | 6 | 24 | 1 | 0.0 | 0.004 | 0.395 | (0;001) | ✗ | 05/01/17 |
BeBr2 | COD | 1526850 | Ibam (72) | ✔ | 6 | 36 | 1 | 5.332 | 5.347 | 0.000 | (0;000) | ✗ | 05/01/17 |
BeCl2 | COD | 1526848 | Ibam (72) | ✔ | 6 | 36 | 1 | 6.5568 | 6.792 | 0.000 | (0;000) | ✗ | 05/01/17 |
HfBeSi | ICSD | 108103 | P6_3/mmc (194) | ✔ | 6 | 40 | 3 | 0.0 | 0.001 | 0.140 | (1;000) | ✗ | 05/01/17 |
LiBeP | COD | 9008325 | P4/nmm (129) | ✔ | 6 | 24 | 1 | 1.1973 | 1.585 | 0.000 | (0;000) | ✗ | 05/01/17 |
NaBeSb | COD | 7221254 | P6_3/mmc (194) | ✔ | 6 | 36 | 1 | 0.6881 | 1.361 | 0.000 | (0;000) | ✗ | 05/01/17 |
YSF | ICSD | 250885 | P4/nmm (129) | ✔ | 6 | 48 | 3 | 1.2867 | 1.287 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaF2 | ICSD | 51239 | Pmc2_1 (26) | ✗ | 6 | 48 | 1 | 6.5997 | 6.813 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZrBeSi | ICSD | 76123 | P6_3/mmc (194) | ✔ | 6 | 24 | 3 | 0.0 | 0.006 | 0.162 | (1;000) | ✗ | 05/01/17 |
Ta2Be | ICSD | 58738 | I4/mcm (140) | ✔ | 6 | 60 | 3 | 0.0 | 0.005 | 0.340 | (1;000) | ✗ | 05/01/17 |
BaSb2 | ICSD | 409517 | P2_1/m (11) | ✔ | 6 | 40 | 1 | 0.0 | 0.056 | 0.102 | (0;001) | ✔ | 04/10/16 |
ZrSi2 | ICSD | 16772 | Cmcm (63) | ✔ | 6 | 40 | 3 | 0.0 | 0.004 | 0.319 | (1;110) | ✗ | 06/10/16 |
Li3YBi2 | ICSD | 616795 | P-3m1 (164) | ✔ | 6 | 50 | 2 | 0.0 | 0.051 | 0.212 | (1;000) | ✗ | 05/01/17 |
MgGa2 | COD | 1523559 | P6_3/mmc (194) | ✔ | 6 | 72 | 3 | 0.0 | 0.005 | 0.510 | (0;000) | ✗ | 27/01/17 |
KCuSe | COD | 7221372 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.242 | 0.242 | 0.000 | (0;000) | ✗ | 27/01/17 |
Bi2Pd | COD | 9012855 | C2/m (12) | ✔ | 6 | 96 | 3 | 0.0 | 0.125 | 0.692 | (1;000) | ✗ | 05/01/17 |
TeRhCl | ICSD | 56853 | C2/m (12) | ✔ | 6 | 60 | 2 | 0.7288 | 0.732 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca2Sb | ICSD | 154 | I4mm (107) | ✗ | 6 | 50 | 1 | 0.0 | 0.091 | 0.055 | (0;000) | ✔ | 06/10/16 |
LaSn2 | ICSD | 657383 | Cmmm (65) | ✔ | 6 | 62 | 3 | 0.0 | 0.011 | 0.391 | (1;000) | ✗ | 06/10/16 |
BiBrO | COD | 9009161 | P4/nmm (129) | ✔ | 6 | 56 | 2 | 1.8229 | 1.982 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ca2Bi | COD | 9008354 | I4/mmm (139) | ✔ | 6 | 70 | 1 | 0.0 | 0.064 | 0.059 | (0;000) | ✗ | 05/01/17 |
CaCuBi | ICSD | 57018 | P6_3/mmc (194) | ✔ | 6 | 72 | 2 | 0.0 | 0.013 | 0.213 | (1;000) | ✗ | 05/01/17 |
BiClO | COD | 4509949 | P4/nmm (129) | ✔ | 6 | 56 | 2 | 2.3075 | 2.699 | 0.000 | (0;000) | ✗ | 05/01/17 |
MgZn2 | ICSD | 150576 | Cmcm (63) | ✔ | 6 | 68 | 3 | 0.0 | 0.000 | 0.492 | (1;110) | ✗ | 27/01/17 |
CdI2 | ICSD | 38116 | P6_3mc (186) | ✗ | 6 | 52 | 2 | 1.9181 | 2.127 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li2Tl | ICSD | 642401 | Cmcm (63) | ✔ | 6 | 38 | 1 | 0.0 | 0.000 | 0.717 | (1;110) | ✗ | 27/01/17 |
SrCuBi | ICSD | 58777 | P6_3/mmc (194) | ✔ | 6 | 72 | 2 | 0.0 | 0.001 | 0.153 | (1;000) | ✗ | 05/01/17 |
BiOF | COD | 9009163 | P4/nmm (129) | ✔ | 6 | 56 | 1 | 2.8147 | 2.815 | 0.000 | (0;000) | ✗ | 05/01/17 |
KCuTe | COD | 7221373 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.5401 | 0.540 | 0.000 | (0;000) | ✗ | 27/01/17 |
In2Bi | COD | 1527697 | P6_3/mmc (194) | ✔ | 6 | 82 | 3 | 0.0 | 0.000 | 0.715 | (0;000) | ✗ | 05/01/17 |
KMgBi | ICSD | 616748 | P4/nmm (129) | ✔ | 6 | 68 | 1 | 0.0 | 0.015 | 0.028 | (1;000) | ✗ | 05/01/17 |
KMnBi | ICSD | 601586 | P4/nmm (129) | ✔ | 6 | 78 | 1 | 0.0 | 0.000 | 0.834 | (1;000) | ✗ | 05/01/17 |
Mn2Sb | ICSD | 163332 | P6_3/mmc (194) | ✔ | 6 | 70 | 3 | 34.0362 | 0.000 | 1.000 | (0;000) | ✗ | 27/01/17 |
Mn2Sb | COD | 9008320 | P4/nmm (129) | ✔ | 6 | 70 | 3 | 0.0 | 0.000 | 0.781 | (1;000) | ✗ | 27/01/17 |
Mn2Sn | COD | 1523342 | P6_3/mmc (194) | ✔ | 6 | 88 | 3 | 0.0 | 0.003 | 0.617 | (0;000) | ✗ | 27/01/17 |
MnS2 | ICSD | 643441 | Pnnm (58) | ✔ | 6 | 54 | 3 | 0.0 | 0.000 | 0.914 | (0;101) | ✗ | 27/01/17 |
NaMnBi | ICSD | 616814 | P4/nmm (129) | ✔ | 6 | 78 | 1 | 0.0 | 0.000 | 0.871 | (1;000) | ✗ | 05/01/17 |
YMn2 | ICSD | 105002 | Fd-3m (227) | ✔ | 6 | 82 | 3 | 0.0 | 0.000 | 0.968 | (0;000) | ✗ | 27/01/17 |
LiYGa4 | ICSD | 98666 | P-6m2 (187) | ✗ | 6 | 66 | 3 | 0.0 | 0.004 | 0.244 | (0;000) | ✔ | 05/12/16 |
SrHCl | COD | 9009183 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 4.0353 | 4.068 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScHCl | ICSD | 40981 | R-3m (166) | ✔ | 6 | 38 | 2 | 0.0 | 0.011 | 0.232 | (0;111) | ✗ | 27/01/17 |
NaCuSe | COD | 7221370 | P4/nmm (129) | ✔ | 6 | 52 | 1 | 0.0 | 0.003 | 0.012 | (1;000) | ✗ | 27/01/17 |