▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BaSeO3 | ICSD | 54156 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 3.9448 | 3.945 | 0.000 | (0;000) | ✗ | 05/01/17 |
SrMnSn | ICSD | 66951 | P4/nmm (129) | ✔ | 6 | 78 | 1 | 0.0 | 0.000 | 0.819 | (1;000) | ✗ | 27/01/17 |
BaNiO3 | COD | 2106603 | P6_3/mmc (194) | ✔ | 10 | 76 | 1 | 1.1864 | 1.283 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaO2 | COD | 2001842 | I4/mmm (139) | ✔ | 3 | 22 | 1 | 2.1926 | 2.193 | 0.000 | (0;000) | ✗ | 05/01/17 |
CO | ICSD | 26962 | P2_13 (198) | ✗ | 8 | 40 | 1 | 6.4576 | 6.458 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba | COD | 9008528 | Im-3m (229) | ✔ | 1 | 10 | 1 | 0.0 | 0.000 | 0.399 | (0;000) | ✗ | 05/01/17 |
Ca3ZnSe4 | ICSD | 167833 | P-43m (215) | ✗ | 8 | 66 | 1 | 1.9339 | 2.000 | 0.000 | (0;000) | ✗ | 06/10/16 |
BeO | COD | 1011325 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 6.5102 | 6.607 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaO | ICSD | 173921 | P6_3/mmc (194) | ✔ | 4 | 32 | 1 | 2.2677 | 2.285 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaO | COD | 1011362 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 1.8783 | 1.878 | 0.000 | (0;000) | ✗ | 05/01/17 |
NaN3 | COD | 1010392 | R-3m (166) | ✔ | 4 | 24 | 1 | 4.3404 | 4.749 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbN3 | ICSD | 34273 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 4.3028 | 4.303 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaSe | COD | 9008601 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 1.7784 | 1.971 | 0.000 | (0;000) | ✗ | 05/01/17 |
Na2SO3 | COD | 1010523 | P-3 (147) | ✔ | 12 | 84 | 1 | 4.0495 | 4.171 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaMoO | ICSD | 187218 | P1 (1) | ✗ | 12 | 120 | 1 | 0.0 | 0.008 | 0.783 | (1;000) | ✔ | 05/12/16 |
BaPb | ICSD | 616019 | Cmcm (63) | ✔ | 4 | 48 | 1 | 0.0 | 0.089 | 0.120 | (0;110) | ✗ | 05/01/17 |
TlF | ICSD | 30268 | Fmmm (69) | ✔ | 2 | 20 | 1 | 1.7905 | 1.791 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaS2 | ICSD | 42134 | C2/c (15) | ✔ | 6 | 44 | 1 | 1.5646 | 1.599 | 0.000 | (0;000) | ✗ | 05/01/17 |
CsN | ICSD | 29106 | Pm-3m (221) | ✔ | 2 | 14 | 1 | 0.0 | 0.000 | 0.697 | (0;000) | ✗ | 27/01/17 |
Ca2CdP2 | ICSD | 422580 | Ccm2_1 (36) | ✗ | 10 | 84 | 1 | 1.2799 | 1.290 | 0.000 | (0;000) | ✗ | 06/10/16 |
CO2 | ICSD | 188894 | P4_12_12 (92) | ✗ | 12 | 64 | 1 | 2.6623 | 3.604 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca6Ge2O | ICSD | 181078 | Fm-3m (225) | ✔ | 9 | 74 | 1 | 0.2852 | 0.294 | 0.000 | (0;000) | ✗ | 06/10/16 |
MgF2 | ICSD | 51243 | P-1 (2) | ✔ | 6 | 48 | 1 | 0.7823 | 1.004 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaS | COD | 9008600 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 2.0979 | 2.188 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaTe | COD | 9008602 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 1.2448 | 1.616 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaZn | ICSD | 616171 | Pm-3m (221) | ✔ | 2 | 22 | 1 | 0.0 | 0.000 | 0.663 | (1;000) | ✗ | 05/01/17 |
Be2BO3F | ICSD | 56847 | C2/c (15) | ✔ | 14 | 72 | 1 | 6.1761 | 6.176 | 0.000 | (0;000) | ✗ | 05/01/17 |
Be4B | COD | 1511458 | P4/nmm (129) | ✔ | 10 | 38 | 1 | 0.0 | 0.000 | 0.827 | (0;001) | ✗ | 05/01/17 |
SrAs3 | ICSD | 41831 | C2/m (12) | ✔ | 8 | 50 | 1 | 0.0 | 0.043 | 0.272 | (1;001) | ✔ | 05/01/17 |
Be12Fe | ICSD | 616264 | I4/mmm (139) | ✔ | 13 | 56 | 1 | 0.0 | 0.002 | 0.723 | (1;111) | ✗ | 05/01/17 |
SF6 | ICSD | 214 | Im-3m (229) | ✔ | 7 | 48 | 1 | 8.4913 | 8.491 | 0.000 | (0;000) | ✗ | 06/10/16 |
Be12Pd | ICSD | 109314 | I4/mmm (139) | ✔ | 13 | 66 | 1 | 0.0 | 0.002 | 0.476 | (1;000) | ✗ | 05/01/17 |
TiBe12 | ICSD | 616454 | I4/mmm (139) | ✔ | 13 | 60 | 1 | 0.0 | 0.002 | 0.588 | (1;111) | ✗ | 05/01/17 |
Be12W | ICSD | 109316 | I4/mmm (139) | ✔ | 13 | 62 | 1 | 0.0 | 0.036 | 0.476 | (1;000) | ✗ | 05/01/17 |
Be17Nb2 | ICSD | 58724 | R-3m (166) | ✔ | 19 | 94 | 1 | 0.0 | 0.033 | 0.637 | (1;000) | ✗ | 05/01/17 |
Ta2Be17 | ICSD | 616430 | R-3m (166) | ✔ | 19 | 94 | 1 | 0.0 | 0.075 | 0.627 | (1;000) | ✗ | 05/01/17 |
Ca(BeP)2 | ICSD | 616191 | P-3m1 (164) | ✔ | 5 | 28 | 1 | 0.8415 | 1.509 | 0.000 | (0;000) | ✗ | 05/01/17 |
K2Be2PbF8 | ICSD | 9902 | R-3m (166) | ✔ | 13 | 96 | 1 | 4.8662 | 4.960 | 0.000 | (0;000) | ✗ | 05/01/17 |
Mg(BeP)2 | ICSD | 616328 | P-3m1 (164) | ✔ | 5 | 28 | 1 | 0.5227 | 2.649 | 0.000 | (0;000) | ✗ | 05/01/17 |
Sr(BeN)2 | ICSD | 413356 | I4/mcm (140) | ✔ | 10 | 56 | 1 | 1.993 | 2.104 | 0.000 | (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 |
BeH2 | ICSD | 161367 | Ibam (72) | ✔ | 18 | 36 | 1 | 5.4829 | 5.483 | 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 |
NO | ICSD | 27871 | P2_1/c (14) | ✔ | 8 | 44 | 1 | 0.0 | 0.002 | 0.048 | (0;010) | ✔ | 27/01/17 |
LiBeP | COD | 9008325 | P4/nmm (129) | ✔ | 6 | 24 | 1 | 1.1973 | 1.585 | 0.000 | (0;000) | ✗ | 05/01/17 |
BeO | COD | 2310674 | P4_2/mnm (136) | ✔ | 8 | 40 | 1 | 6.9696 | 6.970 | 0.000 | (0;000) | ✗ | 05/01/17 |
Be | COD | 9012040 | P6_3/mmc (194) | ✔ | 2 | 8 | 1 | 0.0 | 0.001 | 0.353 | (1;000) | ✗ | 05/01/17 |
NO2 | ICSD | 164631 | P2_1/m (11) | ✔ | 12 | 68 | 1 | 1.4082 | 1.460 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrLiH3 | ICSD | 23978 | Pm-3m (221) | ✔ | 5 | 16 | 1 | 0.0 | 0.157 | 0.120 | (0;000) | ✗ | 27/01/17 |