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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Ba | ICSD | 109031 | P4/mmm (123) | ✔ | 1 | 10 | 1 | 0.0 | 0.004 | 0.524 | (0;000) | ✗ | 05/01/17 |
| Ba | ICSD | 52679 | Fm-3m (225) | ✔ | 1 | 10 | 1 | 0.0 | 0.077 | 0.167 | (0;000) | ✗ | 02/02/17 |
| BaLiP | ICSD | 416890 | P6_3/mmc (194) | ✔ | 6 | 36 | 1 | 0.9216 | 0.963 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaLi2Si | COD | 7221325 | Pmmn (59) | ✔ | 8 | 40 | 1 | 0.0 | 0.011 | 0.141 | (0;000) | ✗ | 05/01/17 |
| BaLiSb | COD | 2200086 | P6_3/mmc (194) | ✔ | 6 | 36 | 1 | 0.4311 | 0.643 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ba(MgP)2 | ICSD | 30914 | P-3m1 (164) | ✔ | 5 | 40 | 1 | 1.1281 | 1.727 | 0.000 | (0;000) | ✗ | 05/01/17 |
| AsI3 | ICSD | 23003 | R-3 (148) | ✔ | 8 | 52 | 1 | 1.9506 | 2.019 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiSbF6 | ICSD | 23924 | R-3 (148) | ✔ | 8 | 50 | 1 | 5.6983 | 5.698 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaMnO3 | COD | 1524992 | P6_3/mmc (194) | ✔ | 10 | 86 | 1 | 0.0 | 0.000 | 0.345 | (0;000) | ✗ | 05/01/17 |
| Rb2NaMnF6 | ICSD | 9708 | I4/mmm (139) | ✔ | 10 | 84 | 1 | 0.0 | 0.053 | 0.219 | (0;000) | ✗ | 27/01/17 |
| BaN2 | COD | 4327589 | C2/c (15) | ✔ | 6 | 40 | 1 | 0.0 | 0.022 | 0.618 | (0;000) | ✗ | 05/01/17 |
| BaZrN2 | ICSD | 74905 | P4/nmm (129) | ✔ | 8 | 48 | 1 | 0.8105 | 0.816 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Si(NF3)2 | COD | 9016696 | Fm-3m (225) | ✔ | 9 | 56 | 1 | 0.0 | 0.000 | 0.369 | (1;000) | ✗ | 27/01/17 |
| V(NF2)3 | COD | 9014754 | Fm-3m (225) | ✔ | 10 | 70 | 1 | 0.0 | 0.003 | 0.251 | (0;000) | ✗ | 27/01/17 |
| BaTe3 | ICSD | 36366 | P-42_1m (113) | ✗ | 8 | 56 | 1 | 0.719 | 0.730 | 0.000 | (0;000) | ✗ | 06/10/16 |
| 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 |
| BaSeO3 | ICSD | 54156 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 3.9448 | 3.945 | 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 |
| Rb2NiF6 | ICSD | 29005 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 2.3477 | 2.348 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaO | ICSD | 173921 | P6_3/mmc (194) | ✔ | 4 | 32 | 1 | 2.2677 | 2.285 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ba | COD | 9008528 | Im-3m (229) | ✔ | 1 | 10 | 1 | 0.0 | 0.000 | 0.399 | (0;000) | ✗ | 05/01/17 |
| LiAsSe2 | ICSD | 248118 | P-1 (2) | ✔ | 8 | 40 | 1 | 0.0 | 0.096 | 0.008 | (0;000) | ✗ | 06/10/16 |
| Ge | ICSD | 181073 | P6_3/mmc (194) | ✔ | 2 | 8 | 1 | 0.0 | 0.015 | 0.756 | (1;000) | ✗ | 27/01/17 |
| BaS2 | ICSD | 42134 | C2/c (15) | ✔ | 6 | 44 | 1 | 1.5646 | 1.599 | 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 |
| MgF2 | ICSD | 51242 | Cm2m (38) | ✗ | 3 | 24 | 1 | 0.86 | 0.994 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ta2Be17 | ICSD | 616430 | R-3m (166) | ✔ | 19 | 94 | 1 | 0.0 | 0.075 | 0.627 | (1;000) | ✗ | 05/01/17 |
| KSnAs | ICSD | 65413 | P6_3mc (186) | ✗ | 6 | 56 | 1 | 0.4164 | 0.458 | 0.000 | (0;000) | ✔ | 06/10/16 |
| LiAsS2 | ICSD | 419061 | Cc (9) | ✗ | 8 | 40 | 1 | 1.0844 | 1.085 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BeF2 | ICSD | 9481 | P6_222 (180) | ✗ | 9 | 54 | 1 | 8.125 | 8.200 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaSrAs | ICSD | 402448 | P-62m (189) | ✗ | 9 | 72 | 1 | 0.8323 | 0.832 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaAs3 | ICSD | 193 | P-1 (2) | ✔ | 8 | 50 | 1 | 0.0 | 0.060 | 0.008 | (1;100) | ✗ | 06/10/16 |
| Ba2CdAs2 | ICSD | 422941 | Cmc2_1 (36) | ✗ | 10 | 84 | 1 | 0.4169 | 0.417 | 0.000 | (0;000) | ✔ | 28/11/16 |
| GeF4 | ICSD | 202558 | I-43m (217) | ✗ | 5 | 32 | 1 | 6.2961 | 6.758 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ca2CdAs2 | ICSD | 422579 | Ccm2_1 (36) | ✗ | 10 | 84 | 1 | 0.8205 | 0.821 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BPS4 | ICSD | 24618 | I222 (23) | ✗ | 6 | 32 | 1 | 1.1178 | 1.383 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiBeB | ICSD | 191998 | P3m1 (156) | ✗ | 12 | 40 | 1 | 0.2863 | 0.631 | 0.000 | (0;000) | ✔ | 06/10/16 |
| BeO | ICSD | 163467 | F-43m (216) | ✗ | 2 | 10 | 1 | 6.9092 | 7.605 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BNCl2 | ICSD | 14276 | R3 (146) | ✗ | 12 | 66 | 1 | 2.3764 | 2.454 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaAu | ICSD | 54978 | Cmcm (63) | ✔ | 4 | 42 | 1 | 0.0 | 0.000 | 0.634 | (0;000) | ✗ | 05/01/17 |
| BNCl2 | ICSD | 28168 | R3 (146) | ✗ | 12 | 66 | 1 | 2.288 | 2.326 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaNaBO3 | COD | 2003991 | C2/m (12) | ✔ | 12 | 80 | 1 | 3.8607 | 3.861 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaCoO3 | ICSD | 88670 | C2mm (38) | ✗ | 10 | 74 | 1 | 0.0 | 0.000 | 0.897 | ? | ✗ | 06/10/16 |
| Be4B | COD | 1511458 | P4/nmm (129) | ✔ | 10 | 38 | 1 | 0.0 | 0.000 | 0.827 | (0;001) | ✗ | 05/01/17 |
| Sr2BBrN2 | ICSD | 261795 | R-3m (166) | ✔ | 6 | 40 | 1 | 2.4699 | 2.958 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BeO | ICSD | 601160 | P6_3mc (186) | ✗ | 4 | 20 | 1 | 7.4832 | 7.483 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AlPS4 | ICSD | 428185 | I222 (23) | ✗ | 6 | 32 | 1 | 2.5158 | 2.670 | 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 |
| BeBr2 | COD | 1526850 | Ibam (72) | ✔ | 6 | 36 | 1 | 5.332 | 5.347 | 0.000 | (0;000) | ✗ | 05/01/17 |