▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BrF3 | ICSD | 31689 | Ccm2_1 (36) | ✗ | 8 | 56 | 1 | 2.3987 | 2.540 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsF | COD | 9008621 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 5.4775 | 5.478 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaAlF4 | COD | 1507767 | Cmcm (63) | ✔ | 12 | 80 | 1 | 6.625 | 6.625 | 0.000 | (0;000) | ✗ | 05/01/17 |
CsK2Sb | ICSD | 53237 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.9783 | 0.978 | 0.000 | (0;000) | ✗ | 27/01/17 |
CO2 | ICSD | 188893 | Cmce (64) | ✔ | 6 | 32 | 1 | 0.8836 | 1.332 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2NaAlF6 | COD | 9009341 | Fm-3m (225) | ✔ | 10 | 72 | 1 | 7.1867 | 7.187 | 0.000 | (0;000) | ✗ | 05/01/17 |
BrF5 | ICSD | 31690 | Ccm2_1 (36) | ✗ | 12 | 84 | 1 | 4.0507 | 4.134 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsSbO2 | COD | 2007633 | C2/c (15) | ✔ | 8 | 52 | 1 | 2.476 | 2.493 | 0.000 | (0;000) | ✗ | 27/01/17 |
PI3 | ICSD | 311 | P2_1 (4) | ✗ | 8 | 52 | 1 | 1.8955 | 1.899 | 0.000 | (0;000) | ✗ | 06/10/16 |
K2LiAlF6 | ICSD | 408553 | Fm-3m (225) | ✔ | 10 | 66 | 1 | 7.8621 | 7.862 | 0.000 | (0;000) | ✗ | 05/01/17 |
NaAlH8(NF3)2 | COD | 2210090 | Fm-3m (225) | ✔ | 18 | 72 | 1 | 6.9624 | 6.962 | 0.000 | (0;000) | ✗ | 05/01/17 |
K2AlF5 | COD | 1000479 | P4/mmm (123) | ✔ | 8 | 56 | 1 | 6.503 | 6.546 | 0.000 | (0;000) | ✗ | 05/01/17 |
TiI3 | ICSD | 422870 | Cm2m (38) | ✗ | 8 | 66 | 1 | 0.0 | 0.009 | 0.345 | (0;000) | ✔ | 06/10/16 |
Na3AlF6 | COD | 9012285 | Fm-3m (225) | ✔ | 10 | 72 | 1 | 5.8614 | 5.861 | 0.000 | (0;000) | ✗ | 05/01/17 |
IBr | ICSD | 22120 | Cmc2_1 (36) | ✗ | 4 | 28 | 1 | 1.2772 | 1.287 | 0.000 | (0;000) | ✗ | 06/10/16 |
Rb2NaAlF6 | ICSD | 290318 | Fm-3m (225) | ✔ | 10 | 72 | 1 | 7.1159 | 7.116 | 0.000 | (0;000) | ✗ | 05/01/17 |
ZrI3 | ICSD | 74648 | Cm2m (38) | ✗ | 8 | 66 | 1 | 0.0 | 0.085 | 0.322 | (0;000) | ✔ | 06/10/16 |
Li5AlO4 | COD | 1528092 | Pmmn (59) | ✔ | 20 | 84 | 1 | 4.9075 | 4.995 | 0.000 | (0;000) | ✗ | 05/01/17 |
CaGe2 | ICSD | 619304 | R-3m (166) | ✔ | 6 | 36 | 1 | 0.0 | 0.027 | 0.180 | (1;000) | ✗ | 27/01/17 |
SrCuSF | ICSD | 157433 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.4773 | 1.477 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaZn2(PO)2 | ICSD | 29256 | P-3m1 (164) | ✔ | 7 | 56 | 1 | 0.0 | 0.019 | 0.172 | (0;001) | ✗ | 27/01/17 |
BaVS3 | ICSD | 154182 | Ccm2_1 (36) | ✗ | 10 | 82 | 1 | 0.0 | 0.000 | 0.545 | (0;011) | ✔ | 05/12/16 |
BaVS3 | ICSD | 154183 | Cm (8) | ✗ | 10 | 82 | 1 | 0.0 | 0.004 | 0.574 | ? | ✗ | 06/10/16 |
BaVS3 | ICSD | 154184 | Cm (8) | ✗ | 10 | 82 | 1 | 0.0 | 0.002 | 0.581 | ? | ✗ | 06/10/16 |
BaVS3 | ICSD | 52692 | Ccm2_1 (36) | ✗ | 10 | 82 | 1 | 0.0 | 0.000 | 0.497 | ? | ✗ | 06/10/16 |
NaAlSi | COD | 7221265 | P4/nmm (129) | ✔ | 6 | 32 | 1 | 0.0 | 0.002 | 0.188 | (0;000) | ✗ | 05/01/17 |
BaVS3 | ICSD | 616099 | Ccm2_1 (36) | ✗ | 10 | 82 | 1 | 0.0 | 0.000 | 0.542 | ? | ✗ | 06/10/16 |
BaVS3 | ICSD | 63229 | Ccm2_1 (36) | ✗ | 10 | 82 | 1 | 0.0 | 0.000 | 0.538 | ? | ✗ | 06/10/16 |
BaVS3 | ICSD | 63230 | C222_1 (20) | ✗ | 10 | 82 | 1 | 0.0 | 0.001 | 0.388 | ? | ✗ | 06/10/16 |
LiBeSb | ICSD | 100114 | P6_3mc (186) | ✗ | 6 | 24 | 1 | 0.477 | 0.920 | 0.000 | (0;000) | ✔ | 06/10/16 |
LiBeSb | ICSD | 616318 | P6_3mc (186) | ✗ | 6 | 24 | 1 | 0.4792 | 0.920 | 0.000 | (0;000) | ✔ | 06/10/16 |
Sr5Bi3 | ICSD | 41838 | P6_3/mcm (193) | ✔ | 16 | 130 | 1 | 0.0 | 0.000 | 0.580 | (1;000) | ✗ | 06/10/16 |
RbHF2 | ICSD | 45859 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 6.8504 | 6.883 | 0.000 | (0;000) | ✗ | 27/01/17 |
P2O7F2 | COD | 2300034 | P-1 (2) | ✔ | 11 | 66 | 1 | 0.0 | 0.005 | 0.667 | (1;000) | ✗ | 27/01/17 |
SrF2 | COD | 9016413 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 7.1886 | 7.257 | 0.000 | (0;000) | ✗ | 27/01/17 |
POF3 | ICSD | 250498 | P-3m1 (164) | ✔ | 10 | 64 | 1 | 6.2121 | 6.319 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsClO2 | ICSD | 162803 | Cmcm (63) | ✔ | 8 | 56 | 1 | 2.3848 | 2.676 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2PdF4 | ICSD | 33888 | C2/m (12) | ✔ | 7 | 64 | 1 | 2.0078 | 2.089 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrZnF4 | COD | 1529059 | I4_1/a (88) | ✔ | 12 | 100 | 1 | 5.1177 | 5.118 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb2MnF5 | ICSD | 82218 | P4/mmm (123) | ✔ | 8 | 68 | 1 | 0.0 | 0.052 | 0.707 | (0;000) | ✗ | 27/01/17 |
Bi8Te9 | ICSD | 106330 | R-3m (166) | ✔ | 17 | 94 | 1 | 0.0 | 0.033 | 0.669 | (0;111) | ✗ | 06/10/16 |
Ca(BeAs)2 | ICSD | 609867 | P-3m1 (164) | ✔ | 5 | 28 | 1 | 0.6261 | 1.262 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ca2As2O7 | ICSD | 32602 | C2/m (12) | ✔ | 11 | 72 | 1 | 4.0716 | 4.136 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ca4As2O | ICSD | 68203 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 1.1166 | 1.325 | 0.000 | (0;000) | ✗ | 05/01/17 |
PdBr2 | ICSD | 27443 | C2/c (15) | ✔ | 6 | 64 | 1 | 0.509 | 0.945 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb2GeF6 | ICSD | 68982 | Fm-3m (225) | ✔ | 9 | 64 | 1 | 6.413 | 6.413 | 0.000 | (0;000) | ✗ | 27/01/17 |
SnH8(NF3)2 | ICSD | 409509 | P-3m1 (164) | ✔ | 17 | 74 | 1 | 4.8135 | 4.814 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiH8(NF3)2 | ICSD | 24834 | P-3m1 (164) | ✔ | 17 | 72 | 1 | 5.2286 | 5.235 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaBr2 | ICSD | 14220 | Pmnn (58) | ✔ | 6 | 48 | 1 | 4.4866 | 4.487 | 0.000 | (0;000) | ✗ | 06/10/16 |
NaHF2 | COD | 1010284 | R-3m (166) | ✔ | 4 | 24 | 1 | 6.6482 | 6.928 | 0.000 | (0;000) | ✗ | 27/01/17 |