▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CaF2 | COD | 9007069 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 7.9254 | 8.174 | 0.000 | (0;000) | ✗ | 02/02/17 |
NiI2 | COD | 9009133 | R-3m (166) | ✔ | 3 | 24 | 2 | 0.0 | 0.071 | 0.554 | (0;000) | ✗ | 30/01/17 |
MgI2 | COD | 9009108 | P-3m1 (164) | ✔ | 3 | 24 | 2 | 3.1114 | 3.286 | 0.000 | (0;000) | ✗ | 30/01/17 |
Cd | COD | 9012436 | P6_3/mmc (194) | ✔ | 2 | 24 | 3 | 0.0 | 0.008 | 0.392 | (1;000) | ✗ | 27/01/17 |
NaBi | ICSD | 616837 | P4/mmm (123) | ✔ | 2 | 24 | 2 | 0.0 | 0.099 | 0.424 | (1;000) | ✗ | 05/01/17 |
Mg2Ge | COD | 9009014 | Fm-3m (225) | ✔ | 3 | 24 | 3 | 0.0 | 1.011 | 0.030 | (0;000) | ✗ | 27/01/17 |
Zn | COD | 9012435 | P6_3/mmc (194) | ✔ | 2 | 24 | 3 | 0.0 | 0.012 | 0.366 | (1;000) | ✗ | 27/01/17 |
SiPt2 | ICSD | 77973 | I4/mmm (139) | ✔ | 3 | 24 | 3 | 0.0 | 0.138 | 0.700 | (0;000) | ✗ | 27/01/17 |
Al2Pd | ICSD | 58116 | Fm-3m (225) | ✔ | 3 | 24 | 3 | 0.0 | 0.018 | 0.855 | (0;000) | ✗ | 05/01/17 |
MgBr2 | COD | 9009107 | P-3m1 (164) | ✔ | 3 | 24 | 2 | 4.1115 | 4.112 | 0.000 | (0;000) | ✗ | 27/01/17 |
Mg(AlSi)2 | ICSD | 156101 | P-3m1 (164) | ✔ | 5 | 24 | 3 | 0.0 | 0.735 | 0.315 | (0;000) | ✗ | 05/01/17 |
Sr(AlSi)2 | ICSD | 609338 | P-3m1 (164) | ✔ | 5 | 24 | 2 | 0.0 | 0.382 | 0.180 | (0;000) | ✗ | 05/01/17 |
ZrBeSi | ICSD | 76123 | P6_3/mmc (194) | ✔ | 6 | 24 | 3 | 0.0 | 0.006 | 0.162 | (1;000) | ✗ | 05/01/17 |
ZrGe2 | COD | 2310672 | Cmcm (63) | ✔ | 6 | 24 | 3 | 0.0 | 0.008 | 0.223 | (1;110) | ✗ | 27/01/17 |
MgH2 | ICSD | 168831 | P4_2/mnm (136) | ✔ | 6 | 24 | 1 | 3.7327 | 4.585 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr(AlGe)2 | ICSD | 608014 | P-3m1 (164) | ✔ | 5 | 24 | 2 | 0.0 | 0.016 | 0.167 | (0;000) | ✗ | 05/01/17 |
Ti | COD | 9011600 | P6/mmm (191) | ✔ | 2 | 24 | 3 | 0.0 | 0.015 | 0.398 | (1;001) | ✗ | 27/01/17 |
Ca(AlSi)2 | COD | 1529999 | P-3m1 (164) | ✔ | 5 | 24 | 2 | 0.0 | 0.524 | 0.208 | (0;000) | ✗ | 05/01/17 |
Li4ZrGe2 | COD | 1533277 | R-3m (166) | ✔ | 7 | 24 | 1 | 0.0 | 0.008 | 0.572 | (1;000) | ✗ | 27/01/17 |
Ti | COD | 9008517 | P6_3/mmc (194) | ✔ | 2 | 24 | 3 | 0.0 | 0.006 | 0.332 | (1;000) | ✗ | 27/01/17 |
Ba(AlSi)2 | ICSD | 153385 | I4/mmm (139) | ✔ | 5 | 24 | 2 | 0.0 | 0.000 | 0.319 | (1;000) | ✗ | 05/01/17 |
Ca(AlGe)2 | COD | 8101147 | P-3m1 (164) | ✔ | 5 | 24 | 2 | 0.0 | 0.134 | 0.202 | (0;000) | ✗ | 05/01/17 |
Ba(AlGe)2 | COD | 1532740 | I4/mmm (139) | ✔ | 5 | 24 | 2 | 0.0 | 0.028 | 0.264 | (0;000) | ✗ | 05/01/17 |
La2O3 | ICSD | 26864 | P321 (150) | ✗ | 5 | 24 | 3 | 0.0 | 0.004 | 0.297 | (1;000) | ✔ | 06/10/16 |
ZrBe5 | ICSD | 58757 | P6/mmm (191) | ✔ | 6 | 24 | 1 | 0.0 | 0.004 | 0.395 | (0;001) | ✗ | 05/01/17 |
Mg(AlH4)2 | ICSD | 152538 | P-3m1 (164) | ✔ | 11 | 24 | 3 | 4.2588 | 4.779 | 0.000 | (0;000) | ✗ | 05/01/17 |
LiBeP | COD | 9008325 | P4/nmm (129) | ✔ | 6 | 24 | 1 | 1.1973 | 1.585 | 0.000 | (0;000) | ✗ | 05/01/17 |
YTl | COD | 1527195 | Pm-3m (221) | ✔ | 2 | 24 | 3 | 0.0 | 0.000 | 0.388 | (0;000) | ✗ | 27/01/17 |
Rb2O | COD | 9009067 | Fm-3m (225) | ✔ | 3 | 24 | 3 | 1.4925 | 2.158 | 0.000 | (0;000) | ✗ | 27/01/17 |
BH3 | ICSD | 15598 | P2_1/c (14) | ✔ | 16 | 24 | 1 | 5.9279 | 5.928 | 0.000 | (0;000) | ✗ | 05/01/17 |
PdO | ICSD | 41617 | I4/mmm (139) | ✔ | 2 | 24 | 3 | 0.0 | 0.011 | 0.625 | (0;000) | ✗ | 27/01/17 |
Li2Pd | COD | 1523156 | P6/mmm (191) | ✔ | 3 | 24 | 1 | 0.0 | 0.079 | 0.640 | (1;000) | ✗ | 27/01/17 |
PdO | ICSD | 77650 | Fm-3m (225) | ✔ | 2 | 24 | 1 | 0.0 | 0.000 | 0.599 | (0;000) | ✗ | 27/01/17 |
PdO | COD | 1011329 | P4/mmm (123) | ✔ | 2 | 24 | 2 | 0.0 | 0.009 | 0.422 | (0;110) | ✗ | 27/01/17 |
O2 | ICSD | 164724 | P6_3/mmc (194) | ✔ | 4 | 24 | 1 | 0.0 | 0.002 | 0.588 | (1;000) | ✗ | 27/01/17 |
NiBr2 | COD | 9008013 | R-3m (166) | ✔ | 3 | 24 | 2 | 0.0 | 0.031 | 0.538 | (0;000) | ✗ | 27/01/17 |
Mg(HO)2 | COD | 9006332 | P-3m1 (164) | ✔ | 5 | 24 | 2 | 5.6084 | 5.608 | 0.000 | (0;000) | ✗ | 27/01/17 |
La2O3 | ICSD | 56166 | P-3m1 (164) | ✔ | 5 | 24 | 3 | 3.0056 | 3.250 | 0.000 | (0;000) | ✗ | 06/10/16 |
Rb2Te | ICSD | 55115 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 1.7624 | 1.976 | 0.000 | (0;000) | ✗ | 06/10/16 |
OsC2 | ICSD | 168279 | P-6m2 (187) | ✗ | 3 | 24 | 3 | 0.0 | 0.011 | 0.061 | (1;000) | ✔ | 04/10/16 |
HfS2 | ICSD | 601164 | P-3m1 (164) | ✔ | 3 | 24 | 2 | 0.9936 | 1.854 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrF2 | COD | 9016413 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 7.1886 | 7.257 | 0.000 | (0;000) | ✗ | 27/01/17 |
HgO2 | ICSD | 48214 | C2/m (12) | ✔ | 3 | 24 | 3 | 0.8828 | 1.430 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaPb | ICSD | 58918 | P4/mmm (123) | ✔ | 2 | 24 | 2 | 0.0 | 0.011 | 0.457 | (1;000) | ✗ | 27/01/17 |
BaF2 | COD | 9009004 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 6.7708 | 6.829 | 0.000 | (0;000) | ✗ | 05/01/17 |
K2Te | COD | 9009058 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 1.9966 | 2.058 | 0.000 | (0;000) | ✗ | 27/01/17 |
CuH | ICSD | 44859 | P6_3mc (186) | ✗ | 4 | 24 | 3 | 0.5757 | 1.488 | 0.000 | (0;000) | ✗ | 06/10/16 |
K2Se | COD | 9009057 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 2.0628 | 2.195 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiBeSb | ICSD | 100114 | P6_3mc (186) | ✗ | 6 | 24 | 1 | 0.477 | 0.920 | 0.000 | (0;000) | ✔ | 06/10/16 |
Li3Bi | ICSD | 58797 | Fm-3m (225) | ✔ | 4 | 24 | 1 | 0.0 | 0.403 | 0.105 | (0;000) | ✗ | 05/01/17 |