▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
LiHF2 | ICSD | 23883 | R-3m (166) | ✔ | 4 | 18 | 1 | 8.2121 | 8.402 | 0.000 | (0;000) | ✗ | 27/01/17 |
BiI | ICSD | 1558 | C2/m (12) | ✔ | 16 | 96 | 1 | 0.1374 | 0.153 | 0.000 | (0;000) | ✗ | 06/10/16 |
KF | COD | 9008652 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 6.1456 | 6.146 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiF | COD | 9008667 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 9.1231 | 9.123 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaF | COD | 9007458 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 6.2699 | 6.270 | 0.000 | (0;000) | ✗ | 27/01/17 |
BiI | ICSD | 1559 | C2/m (12) | ✔ | 8 | 48 | 1 | 0.139 | 0.161 | 0.000 | (0;001) | ✗ | 06/10/16 |
Ge | ICSD | 181070 | Fm-3m (225) | ✔ | 1 | 4 | 1 | 0.0 | 0.117 | 0.611 | (0;000) | ✗ | 27/01/17 |
Ge | ICSD | 181073 | P6_3/mmc (194) | ✔ | 2 | 8 | 1 | 0.0 | 0.015 | 0.756 | (1;000) | ✗ | 27/01/17 |
HCO2 | COD | 4507991 | P2_1/c (14) | ✔ | 16 | 68 | 1 | 3.2517 | 3.449 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiH8 | ICSD | 169739 | I-4m2 (119) | ✗ | 9 | 12 | 1 | 6.0135 | 6.275 | 0.000 | (0;000) | ✗ | 06/10/16 |
K3Bi | ICSD | 26885 | Ccmm (63) | ✔ | 8 | 84 | 1 | 0.0 | 0.006 | 0.037 | (0;000) | ✗ | 06/10/16 |
K3Bi | ICSD | 58793 | Fm-3m (225) | ✔ | 4 | 42 | 1 | 0.0 | 0.000 | 0.012 | (1;000) | ✗ | 05/01/17 |
LiBeB | ICSD | 191998 | P3m1 (156) | ✗ | 12 | 40 | 1 | 0.2863 | 0.631 | 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 |
BaAgSeF | ICSD | 183714 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.2151 | 1.215 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaAgSF | ICSD | 183713 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.4697 | 1.470 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaAgTeF | ICSD | 419382 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.3753 | 1.375 | 0.000 | (0;000) | ✗ | 05/01/17 |
Na3Bi | ICSD | 26881 | Ccmm (63) | ✔ | 8 | 84 | 1 | 0.0 | 0.029 | 0.008 | (1;000) | ✗ | 06/10/16 |
AgBr | ICSD | 31109 | P4/mmm (123) | ✔ | 2 | 18 | 1 | 0.0473 | 0.348 | 0.000 | (0;000) | ✗ | 05/01/17 |
CaAg | COD | 1509163 | Cmcm (63) | ✔ | 4 | 42 | 1 | 0.0 | 0.000 | 0.626 | (0;000) | ✗ | 05/01/17 |
BPS4 | ICSD | 24618 | I222 (23) | ✗ | 6 | 32 | 1 | 1.1178 | 1.383 | 0.000 | (0;000) | ✗ | 06/10/16 |
AgCl | ICSD | 31108 | P4/mmm (123) | ✔ | 2 | 18 | 1 | 0.4513 | 0.682 | 0.000 | (0;000) | ✗ | 05/01/17 |
Rb3Bi | ICSD | 58849 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.0 | 0.000 | 0.038 | (1;000) | ✗ | 06/10/16 |
Rb3Bi | ICSD | 616995 | Ccmm (63) | ✔ | 8 | 64 | 1 | 0.0 | 0.003 | 0.057 | (0;000) | ✗ | 06/10/16 |
KAgF4 | COD | 1509325 | I4/mcm (140) | ✔ | 12 | 96 | 1 | 2.0219 | 2.072 | 0.000 | (0;000) | ✗ | 05/01/17 |
Na2AgF4 | ICSD | 425149 | P2_1/c (14) | ✔ | 14 | 114 | 1 | 0.0 | 0.000 | 0.723 | (0;000) | ✗ | 05/01/17 |
NaAgF4 | COD | 1509326 | I4/mcm (140) | ✔ | 12 | 96 | 1 | 1.7918 | 1.861 | 0.000 | (0;000) | ✗ | 05/01/17 |
SrAgSeF | ICSD | 183710 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.0163 | 1.016 | 0.000 | (0;000) | ✗ | 05/01/17 |
SrAgTeF | ICSD | 183711 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.141 | 1.141 | 0.000 | (0;000) | ✗ | 05/01/17 |
SrAgSF | ICSD | 183709 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.2589 | 1.259 | 0.000 | (0;000) | ✗ | 05/01/17 |
Sr2Bi | ICSD | 41836 | I4/mmm (139) | ✔ | 6 | 50 | 1 | 0.0 | 0.035 | 0.055 | (0;111) | ✗ | 06/10/16 |
BNCl2 | ICSD | 14276 | R3 (146) | ✗ | 12 | 66 | 1 | 2.3764 | 2.454 | 0.000 | (0;000) | ✗ | 06/10/16 |
BNCl2 | ICSD | 27255 | R3 (146) | ✗ | 12 | 66 | 1 | 2.3231 | 2.367 | 0.000 | (0;000) | ✗ | 06/10/16 |
BNCl2 | ICSD | 28168 | R3 (146) | ✗ | 12 | 66 | 1 | 2.288 | 2.326 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaNaBi | ICSD | 413810 | P-62m (189) | ✗ | 9 | 72 | 1 | 0.0066 | 0.007 | 0.000 | (1;000) | ✔ | 06/10/16 |
BaCoO3 | ICSD | 88670 | C2mm (38) | ✗ | 10 | 74 | 1 | 0.0 | 0.000 | 0.897 | ? | ✗ | 06/10/16 |
CaBi2 | ICSD | 659277 | Cmcm (63) | ✔ | 6 | 80 | 1 | 0.0 | 0.032 | 0.360 | (0;110) | ✗ | 05/01/17 |
Ca3(AlGe)2 | ICSD | 52616 | Immm (71) | ✔ | 7 | 44 | 1 | 0.0 | 0.005 | 0.676 | (0;111) | ✗ | 05/01/17 |
Ca3(AlSi)2 | COD | 7221267 | Immm (71) | ✔ | 7 | 44 | 1 | 0.0 | 0.003 | 0.678 | (1;111) | ✗ | 05/01/17 |
MoBr3 | ICSD | 413690 | C2mm (38) | ✗ | 8 | 70 | 1 | 0.0 | 0.001 | 0.433 | (0;011) | ✔ | 04/10/16 |
BrF3 | ICSD | 31689 | Ccm2_1 (36) | ✗ | 8 | 56 | 1 | 2.3987 | 2.540 | 0.000 | (0;000) | ✗ | 06/10/16 |
Bi2O3 | ICSD | 168811 | Fd-3m (227) | ✔ | 20 | 112 | 1 | 2.1934 | 2.260 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr3(AlGe)2 | ICSD | 52617 | Immm (71) | ✔ | 7 | 44 | 1 | 0.0 | 0.011 | 0.612 | (1;111) | ✗ | 05/01/17 |
Sr3(AlSi)2 | COD | 7221268 | Immm (71) | ✔ | 7 | 44 | 1 | 0.0 | 0.012 | 0.570 | (1;111) | ✗ | 05/01/17 |
BaLiP | ICSD | 56444 | P-6m2 (187) | ✗ | 3 | 18 | 1 | 0.6342 | 0.634 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaMnO3 | ICSD | 23873 | Ccmm (63) | ✔ | 10 | 86 | 1 | 0.0 | 0.000 | 0.352 | (0;000) | ✗ | 06/10/16 |
BaMnO3 | ICSD | 24129 | Ccmm (63) | ✔ | 10 | 86 | 1 | 0.0 | 0.000 | 0.352 | (0;000) | ✗ | 06/10/16 |
BaMnO3 | ICSD | 89995 | Cmc2_1 (36) | ✗ | 10 | 86 | 1 | 0.0 | 0.000 | 0.358 | ? | ✗ | 06/10/16 |
BaMnO3 | ICSD | 89996 | Ccm2_1 (36) | ✗ | 10 | 86 | 1 | 0.0 | 0.000 | 0.355 | (1;100) | ✔ | 05/12/16 |
BaNaP | ICSD | 402227 | P-62m (189) | ✗ | 9 | 72 | 1 | 0.8483 | 0.848 | 0.000 | (0;000) | ✗ | 06/10/16 |