▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
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 |
HCO2 | COD | 4507991 | P2_1/c (14) | ✔ | 16 | 68 | 1 | 3.2517 | 3.449 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2CO3 | ICSD | 52535 | P6_3/mmc (194) | ✔ | 12 | 80 | 1 | 3.3215 | 3.322 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaCoO3 | ICSD | 88670 | C2mm (38) | ✗ | 10 | 74 | 1 | 0.0 | 0.000 | 0.897 | ? | ✗ | 06/10/16 |
CaF2 | COD | 9007069 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 7.9254 | 8.174 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaO2 | ICSD | 20275 | I4/mmm (139) | ✔ | 3 | 22 | 1 | 1.5999 | 1.600 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaN2 | ICSD | 423721 | I4/mmm (139) | ✔ | 3 | 20 | 1 | 0.0 | 0.006 | 0.578 | (0;000) | ✗ | 27/01/17 |
SrCl2 | COD | 1010899 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 5.2948 | 5.509 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaBi2 | ICSD | 659277 | Cmcm (63) | ✔ | 6 | 80 | 1 | 0.0 | 0.032 | 0.360 | (0;110) | ✗ | 05/01/17 |
CaO | COD | 9006708 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 3.649 | 4.030 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca | COD | 9012917 | Pm-3m (221) | ✔ | 1 | 10 | 1 | 0.0 | 0.000 | 0.233 | (0;000) | ✗ | 27/01/17 |
K2PdCl6 | COD | 9011293 | Fm-3m (225) | ✔ | 9 | 78 | 1 | 1.8218 | 1.946 | 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 |
HPbClO | COD | 9009482 | C2/m (12) | ✔ | 8 | 56 | 1 | 2.6542 | 2.661 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2CN2 | COD | 4031435 | I4/mmm (139) | ✔ | 5 | 20 | 1 | 3.7439 | 3.744 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2CO3 | COD | 1531432 | P6_3/mcm (193) | ✔ | 12 | 56 | 1 | 3.5493 | 4.009 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiHF2 | ICSD | 23883 | R-3m (166) | ✔ | 4 | 18 | 1 | 8.2121 | 8.402 | 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 |
KF | COD | 9008652 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 6.1456 | 6.146 | 0.000 | (0;000) | ✗ | 27/01/17 |
KClO2 | COD | 2014618 | Cmcm (63) | ✔ | 8 | 56 | 1 | 2.279 | 3.000 | 0.000 | (0;000) | ✗ | 27/01/17 |
BrCl | ICSD | 424850 | Cmc2_1 (36) | ✗ | 4 | 28 | 1 | 1.895 | 1.911 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ge | ICSD | 181070 | Fm-3m (225) | ✔ | 1 | 4 | 1 | 0.0 | 0.117 | 0.611 | (0;000) | ✗ | 27/01/17 |
Bi2O3 | ICSD | 168811 | Fd-3m (227) | ✔ | 20 | 112 | 1 | 2.1934 | 2.260 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li4NCl | ICSD | 84649 | R-3m (166) | ✔ | 6 | 24 | 1 | 1.8222 | 1.875 | 0.000 | (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 |
NaClO4 | COD | 1010214 | Cmcm (63) | ✔ | 12 | 80 | 1 | 3.4632 | 3.634 | 0.000 | (0;000) | ✗ | 27/01/17 |
NCl | COD | 9007494 | Pm-3m (221) | ✔ | 2 | 12 | 1 | 0.0 | 0.011 | 0.693 | (0;000) | ✗ | 27/01/17 |
Sr2NCl | COD | 1528370 | R-3m (166) | ✔ | 4 | 32 | 1 | 1.8349 | 1.835 | 0.000 | (0;000) | ✗ | 27/01/17 |
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 |
AgBr | ICSD | 31109 | P4/mmm (123) | ✔ | 2 | 18 | 1 | 0.0473 | 0.348 | 0.000 | (0;000) | ✗ | 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 |
Ca | COD | 9008530 | Im-3m (229) | ✔ | 1 | 10 | 1 | 0.0 | 0.000 | 0.444 | (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 |
CaAg | COD | 1509163 | Cmcm (63) | ✔ | 4 | 42 | 1 | 0.0 | 0.000 | 0.626 | (0;000) | ✗ | 05/01/17 |
AgCl | ICSD | 31108 | P4/mmm (123) | ✔ | 2 | 18 | 1 | 0.4513 | 0.682 | 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 |
SrAgSF | ICSD | 183709 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.2589 | 1.259 | 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 |
LiI | ICSD | 414242 | P6_3mc (186) | ✗ | 4 | 20 | 1 | 4.1367 | 4.137 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca3(AlSi)2 | COD | 7221267 | Immm (71) | ✔ | 7 | 44 | 1 | 0.0 | 0.003 | 0.678 | (1;111) | ✗ | 05/01/17 |
Ca3(AlGe)2 | ICSD | 52616 | Immm (71) | ✔ | 7 | 44 | 1 | 0.0 | 0.005 | 0.676 | (0;111) | ✗ | 05/01/17 |
Na2CrO4 | COD | 1010023 | Cmcm (63) | ✔ | 14 | 112 | 1 | 3.3328 | 3.360 | 0.000 | (0;000) | ✗ | 27/01/17 |