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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| BaZnF4 | ICSD | 182604 | Ccm2_1 (36) | ✗ | 12 | 100 | 2 | 4.6595 | 4.660 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaZnF4 | ICSD | 16925 | Ccm2_1 (36) | ✗ | 12 | 100 | 2 | 4.6253 | 4.625 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaZnGe | COD | 1527801 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.018 | 0.282 | (0;000) | ✗ | 05/01/17 |
| BaZnO2 | ICSD | 25812 | P3_121 (152) | ✗ | 12 | 102 | 3 | 2.4305 | 2.431 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaZnO2 | ICSD | 25559 | P3_121 (152) | ✗ | 12 | 102 | 3 | 2.3832 | 2.392 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ba(ZnP)2 | COD | 7221353 | I4/mmm (139) | ✔ | 5 | 44 | 2 | 0.0 | 0.286 | 0.109 | (0;000) | ✗ | 05/01/17 |
| BaZnPb | COD | 1527802 | P6_3/mmc (194) | ✔ | 6 | 72 | 2 | 0.0 | 0.007 | 0.168 | (1;000) | ✗ | 05/01/17 |
| BaZnPF | COD | 7203812 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.416 | 0.416 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ba(ZnSb)2 | ICSD | 32020 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.0 | 0.015 | 0.060 | (0;000) | ✗ | 02/02/17 |
| BaZnSbF | COD | 7203813 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.0 | 0.028 | 0.046 | (0;000) | ✗ | 05/01/17 |
| BaZnSi | COD | 1527803 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.001 | 0.295 | (0;000) | ✗ | 05/01/17 |
| Ba(ZnSi)2 | ICSD | 174269 | I4/mmm (139) | ✔ | 5 | 42 | 3 | 0.0 | 0.005 | 0.274 | (1;000) | ✗ | 05/01/17 |
| BaZnSn | COD | 1527804 | P6_3/mmc (194) | ✔ | 6 | 72 | 2 | 0.0 | 0.002 | 0.266 | (1;000) | ✗ | 05/01/17 |
| Ba(ZnSn)2 | ICSD | 25339 | P4/nmm (129) | ✔ | 10 | 124 | 3 | 0.0 | 0.019 | 0.428 | (1;000) | ✗ | 02/02/17 |
| BaZnSO | COD | 4310117 | Cmcm (63) | ✔ | 8 | 68 | 2 | 2.2859 | 2.344 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaZr(BO3)2 | ICSD | 95527 | R3c (161) | ✗ | 20 | 112 | 2 | 4.0582 | 4.058 | 0.000 | (0;000) | ✗ | 21/03/17 |
| BaZrF6 | ICSD | 36122 | Cmme (67) | ✔ | 16 | 112 | 1 | 6.4655 | 6.524 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaZrN2 | ICSD | 74905 | P4/nmm (129) | ✔ | 8 | 48 | 1 | 0.8105 | 0.816 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaZrO3 | COD | 1532743 | Pm-3m (221) | ✔ | 5 | 32 | 3 | 2.7993 | 2.799 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaZrO3 | ICSD | 190881 | I4/mcm (140) | ✔ | 10 | 64 | 3 | 2.6946 | 2.695 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaZr(PO4)2 | ICSD | 173842 | P-3m1 (164) | ✔ | 12 | 72 | 2 | 3.7473 | 3.815 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaZr(PO4)2 | ICSD | 153124 | C2/m (12) | ✔ | 12 | 72 | 2 | 4.2542 | 4.311 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaZrS3 | ICSD | 616104 | Pnma (62) | ✔ | 20 | 128 | 3 | 0.796 | 0.796 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaZrSe3 | ICSD | 616136 | P6_3/mmc (194) | ✔ | 10 | 64 | 1 | 0.0 | 0.005 | 0.254 | (0;000) | ✗ | 02/02/17 |
| BBr3 | COD | 1511460 | P6_3/m (176) | ✔ | 8 | 48 | 1 | 3.5808 | 3.886 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BBr3 | ICSD | 173374 | P2_1/m (11) | ✔ | 8 | 48 | 1 | 3.5823 | 3.889 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BC2N | ICSD | 93041 | Pmm2 (25) | ✗ | 4 | 16 | 3 | 1.7669 | 1.967 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BC2N | ICSD | 93040 | P2_122 (17) | ✗ | 8 | 32 | 3 | 1.9946 | 1.995 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BC2N | ICSD | 191803 | C2/m (12) | ✔ | 8 | 32 | 3 | 0.0 | 0.005 | 0.202 | (0;111) | ✗ | 06/10/16 |
| BC2N | ICSD | 191802 | P1 (1) | ✗ | 8 | 32 | 3 | 0.1899 | 0.191 | 0.000 | (0;000) | ✔ | 06/10/16 |
| BC2N | ICSD | 191801 | Cm (8) | ✗ | 8 | 32 | 3 | 0.2449 | 0.355 | 0.000 | (0;000) | ✔ | 06/10/16 |
| BC2N | ICSD | 191800 | Cm (8) | ✗ | 8 | 32 | 3 | 1.1686 | 1.169 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BC2N | ICSD | 191799 | P-4m2 (115) | ✗ | 4 | 16 | 3 | 1.4495 | 2.182 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BC2N | ICSD | 191798 | P22_12 (17) | ✗ | 8 | 32 | 3 | 2.4617 | 2.462 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BC2N | ICSD | 191797 | Pmm2 (25) | ✗ | 4 | 16 | 3 | 2.0673 | 2.222 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BC5 | ICSD | 166556 | P-1 (2) | ✔ | 12 | 46 | 3 | 0.0 | 0.084 | 0.417 | (1;110) | ✗ | 06/10/16 |
| BCl | COD | 9008995 | P4_2/nmc (137) | ✔ | 16 | 80 | 2 | 3.0503 | 3.056 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BCl2 | COD | 1510986 | Pbca (61) | ✔ | 24 | 136 | 1 | 2.6338 | 2.634 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BCl3 | COD | 1511049 | P6_3/m (176) | ✔ | 8 | 48 | 1 | 3.2405 | 3.349 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BCl3 | ICSD | 24526 | P2_1/m (11) | ✔ | 8 | 48 | 1 | 3.2389 | 3.347 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BCl(OF2)2 | ICSD | 60080 | Cc (9) | ✗ | 16 | 100 | 1 | 1.6747 | 1.684 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Be | ICSD | 52708 | Im-3m (229) | ✔ | 1 | 4 | 1 | 0.0 | 0.001 | 0.284 | (1;000) | ✗ | 05/01/17 |
| Be | COD | 9012017 | P6_3/mmc (194) | ✔ | 2 | 8 | 1 | 0.0 | 0.001 | 0.153 | (1;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 |
| Be | ICSD | 52706 | P2_12_12 (18) | ✗ | 4 | 16 | 1 | 0.0 | 0.045 | 0.184 | (0;000) | ✔ | 15/02/17 |
| Be | COD | 9013111 | P2_12_12 (18) | ✗ | 4 | 16 | 1 | 0.0 | 0.006 | 0.146 | (0;000) | ✔ | 15/03/17 |
| Be12Cr | ICSD | 150599 | I4/mmm (139) | ✔ | 13 | 62 | 1 | 0.0 | 0.010 | 0.513 | (1;111) | ✗ | 05/01/17 |
| Be12Fe | ICSD | 616264 | I4/mmm (139) | ✔ | 13 | 56 | 1 | 0.0 | 0.002 | 0.723 | (1;111) | ✗ | 05/01/17 |
| Be12Mo | ICSD | 616334 | I4/mmm (139) | ✔ | 13 | 62 | 1 | 0.0 | 0.009 | 0.485 | (1;000) | ✗ | 05/01/17 |
| Be12Pd | ICSD | 109314 | I4/mmm (139) | ✔ | 13 | 66 | 1 | 0.0 | 0.002 | 0.476 | (1;000) | ✗ | 05/01/17 |
| Be12Pt | ICSD | 109315 | I4/mmm (139) | ✔ | 13 | 58 | 1 | 0.0 | 0.029 | 0.440 | (1;000) | ✗ | 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 |
| Be2Ag | COD | 1509229 | Fd-3m (227) | ✔ | 6 | 38 | 3 | 0.0 | 0.000 | 0.446 | (0;000) | ✗ | 05/01/17 |
| Be2BO3F | ICSD | 56847 | C2/c (15) | ✔ | 14 | 72 | 1 | 6.1761 | 6.176 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Be2C | COD | 9009053 | Fm-3m (225) | ✔ | 3 | 12 | 1 | 1.1755 | 4.135 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Be2Cr | ICSD | 616224 | P6_3/mmc (194) | ✔ | 12 | 88 | 3 | 0.0 | 0.005 | 0.232 | (1;000) | ✗ | 05/01/17 |
| Be2Cu | ICSD | 616247 | Fd-3m (227) | ✔ | 6 | 38 | 3 | 0.0 | 0.000 | 0.436 | (0;000) | ✗ | 05/01/17 |
| Be2Fe | COD | 7221338 | P6_3/mmc (194) | ✔ | 12 | 64 | 3 | 0.0 | 0.002 | 0.583 | (1;000) | ✗ | 05/01/17 |
| Be2Mo | ICSD | 58716 | P6_3/mmc (194) | ✔ | 12 | 88 | 3 | 0.0 | 0.025 | 0.233 | (1;000) | ✗ | 05/01/17 |
| Be2Nb | ICSD | 58721 | Fd-3m (227) | ✔ | 6 | 42 | 3 | 0.0 | 0.000 | 0.463 | (0;000) | ✗ | 05/01/17 |
| Be2Nb3 | ICSD | 58722 | P4/mbm (127) | ✔ | 10 | 94 | 3 | 0.0 | 0.000 | 0.950 | (1;110) | ✗ | 05/01/17 |
| Be2Re | ICSD | 58732 | P6_3/mmc (194) | ✔ | 12 | 92 | 3 | 0.0 | 0.012 | 0.565 | (1;000) | ✗ | 05/01/17 |
| Be2Ru | ICSD | 616410 | P6_3/mmc (194) | ✔ | 12 | 96 | 1 | 0.0 | 0.003 | 0.511 | (0;000) | ✗ | 02/02/17 |
| Be2V | ICSD | 58752 | P6_3/mmc (194) | ✔ | 12 | 84 | 3 | 0.0 | 0.004 | 0.370 | (1;000) | ✗ | 05/01/17 |
| Be2W | ICSD | 616501 | P6_3/mmc (194) | ✔ | 12 | 88 | 3 | 0.0 | 0.153 | 1.000 | (1;001) | ✗ | 27/01/17 |
| Be2Zn | ICSD | 168955 | Fmmm (69) | ✔ | 3 | 20 | 2 | 0.0 | 0.043 | 0.231 | (1;000) | ✗ | 06/10/16 |
| Be3N2 | ICSD | 25656 | P6_3/mmc (194) | ✔ | 10 | 44 | 1 | 3.3628 | 4.793 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Be3N2 | ICSD | 185490 | R3m (160) | ✗ | 5 | 22 | 1 | 2.7756 | 3.816 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Be4B | COD | 1511458 | P4/nmm (129) | ✔ | 10 | 38 | 1 | 0.0 | 0.000 | 0.827 | (0;001) | ✗ | 05/01/17 |
| Be4TeO7 | COD | 2106455 | F-43m (216) | ✗ | 12 | 64 | 1 | 1.6716 | 1.672 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Be5Fe | ICSD | 616267 | F-43m (216) | ✗ | 6 | 28 | 1 | 0.0 | 0.000 | 0.556 | ? | ✗ | 15/02/17 |
| Be5Pd | ICSD | 58729 | F-43m (216) | ✗ | 6 | 30 | 1 | 0.0 | 0.315 | 0.184 | (0;000) | ✔ | 04/10/16 |
| Be5Pt | ICSD | 616395 | F-43m (216) | ✗ | 6 | 30 | 1 | 0.0 | 0.584 | 0.071 | (0;000) | ✔ | 06/10/16 |
| BeAlB | ICSD | 43828 | F-43m (216) | ✗ | 3 | 10 | 3 | 0.0 | 2.310 | 0.095 | (0;000) | ✔ | 15/02/17 |
| BeAu | ICSD | 58396 | P2_13 (198) | ✗ | 8 | 60 | 3 | 0.0 | 0.000 | 0.475 | (1;111) | ✔ | 06/10/16 |
| BeAu2 | ICSD | 150581 | I4/mmm (139) | ✔ | 3 | 26 | 3 | 0.0 | 0.002 | 0.577 | (1;000) | ✗ | 05/01/17 |
| Be(B6C)2 | ICSD | 612548 | R-3m (166) | ✔ | 15 | 48 | 3 | 0.0 | 0.000 | 0.279 | (1;000) | ✗ | 27/01/17 |
| Be(BC)2 | ICSD | 418618 | Pmmn (59) | ✔ | 20 | 72 | 1 | 0.0 | 0.566 | 0.014 | (0;000) | ✗ | 27/01/17 |
| BeBr2 | COD | 1526850 | Ibam (72) | ✔ | 6 | 36 | 1 | 5.332 | 5.347 | 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 |
| BeCl2 | COD | 4124124 | I-43m (217) | ✗ | 18 | 108 | 1 | 0.0 | 0.000 | 0.583 | ? | ✗ | 21/03/17 |
| BeCN2 | ICSD | 181041 | I-42d (122) | ✗ | 8 | 36 | 3 | 3.8848 | 3.885 | 0.000 | (0;000) | ✗ | 07/10/16 |
| BeF2 | COD | 4124120 | I-43m (217) | ✗ | 18 | 108 | 1 | 7.945 | 7.971 | 0.000 | (0;000) | ✗ | 21/03/17 |
| BeF2 | ICSD | 261194 | P3_121 (152) | ✗ | 9 | 54 | 3 | 8.5108 | 8.658 | 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 |
| BeH2 | ICSD | 161367 | Ibam (72) | ✔ | 18 | 36 | 1 | 5.4829 | 5.483 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Be(H3C)2 | COD | 5900008 | Ibam (72) | ✔ | 18 | 36 | 1 | 4.8496 | 4.850 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Be(HO)2 | COD | 9014803 | P2_12_12_1 (19) | ✗ | 20 | 72 | 1 | 5.5045 | 5.505 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BeI2 | COD | 1526852 | Ibam (72) | ✔ | 6 | 36 | 1 | 3.5201 | 3.752 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BeMo3 | ICSD | 58715 | Pm-3n (223) | ✔ | 8 | 92 | 3 | 0.0 | 0.008 | 0.403 | (0;000) | ✗ | 05/01/17 |
| BeNi | ICSD | 616363 | Pm-3m (221) | ✔ | 2 | 14 | 3 | 0.0 | 0.033 | 0.428 | (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 |
| BeO | COD | 1011325 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 6.5102 | 6.607 | 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 |
| BeO | ICSD | 163467 | F-43m (216) | ✗ | 2 | 10 | 1 | 6.9092 | 7.605 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BeP2 | ICSD | 2262 | C2/c (15) | ✔ | 24 | 112 | 1 | 0.8233 | 0.895 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BePbF4 | ICSD | 24568 | Pnma (62) | ✔ | 24 | 184 | 3 | 4.4935 | 4.523 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BePbF4 | COD | 5910280 | Pnma (62) | ✔ | 24 | 184 | 3 | 4.5631 | 4.701 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BePd | COD | 9008808 | Pm-3m (221) | ✔ | 2 | 22 | 3 | 0.0 | 0.053 | 0.538 | (0;000) | ✗ | 05/01/17 |