▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ba2InBrO3 | ICSD | 81878 | P4/nmm (129) | ✔ | 14 | 116 | 2 | 2.0352 | 2.422 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2P7Br | ICSD | 426194 | P2_1/m (11) | ✔ | 20 | 124 | 1 | 1.4878 | 1.780 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2CdPb | ICSD | 10041 | C2cm (40) | ✗ | 8 | 88 | 1 | 0.1156 | 0.312 | 0.000 | (0;000) | ✔ | 05/12/16 |
Ba2InClO3 | ICSD | 81877 | P4/nmm (129) | ✔ | 14 | 116 | 1 | 2.1009 | 2.590 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2P7Cl | ICSD | 426193 | P2_1/m (11) | ✔ | 20 | 124 | 1 | 1.3959 | 1.770 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiB6 | COD | 1511645 | Pm-3m (221) | ✔ | 7 | 22 | 3 | 0.4197 | 1.416 | 0.000 | (0;000) | ✗ | 05/01/17 |
CsBa2Nb3O10 | ICSD | 93676 | P4/mmm (123) | ✔ | 16 | 128 | 2 | 1.7309 | 2.086 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrB6 | COD | 5910016 | Pm-3m (221) | ✔ | 7 | 28 | 3 | 0.1634 | 0.163 | 0.000 | (0;000) | ✗ | 05/01/17 |
ReN2 | ICSD | 187441 | C2/m (12) | ✔ | 6 | 50 | 3 | 0.0 | 0.405 | 0.171 | (0;000) | ✔ | 06/10/16 |
K2CdSn | ICSD | 620066 | C2cm (40) | ✗ | 8 | 88 | 1 | 0.0462 | 0.306 | 0.000 | (0;000) | ✔ | 05/12/16 |
Ba2BiIrO6 | ICSD | 174289 | Fm-3m (225) | ✔ | 10 | 88 | 3 | 0.0 | 0.327 | 0.036 | (0;000) | ✗ | 05/01/17 |
Ba2PdF6 | COD | 1521027 | Cmce (64) | ✔ | 18 | 160 | 1 | 1.8177 | 1.818 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdSO4 | ICSD | 100317 | Pn2_1m (31) | ✗ | 12 | 84 | 3 | 3.4241 | 3.718 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba2InO3F | ICSD | 81876 | P4/nmm (129) | ✔ | 14 | 116 | 1 | 2.2156 | 2.759 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2GaGeN | COD | 1005040 | P2_1/m (11) | ✔ | 10 | 84 | 1 | 0.0 | 0.214 | 0.062 | (0;000) | ✗ | 02/02/17 |
Ba2YGaSe5 | ICSD | 262882 | P-1 (2) | ✔ | 18 | 148 | 3 | 1.4878 | 1.895 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2BiSbO6 | COD | 2100575 | Fm-3m (225) | ✔ | 10 | 76 | 3 | 1.6586 | 2.757 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2TaBiO6 | ICSD | 153121 | R-3 (148) | ✔ | 10 | 84 | 3 | 0.178 | 0.395 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2GeP2 | ICSD | 35150 | P2_1/c (14) | ✔ | 20 | 136 | 1 | 0.6927 | 0.821 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2Ge(TeSe)2 | ICSD | 414165 | P2_1/m (11) | ✔ | 14 | 96 | 1 | 0.8686 | 0.869 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2GeSe4 | ICSD | 414166 | P2_1/m (11) | ✔ | 14 | 96 | 1 | 1.4911 | 1.491 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2I2O | ICSD | 391434 | Ibam (72) | ✔ | 10 | 80 | 1 | 2.7672 | 2.976 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ga2Ru | ICSD | 635227 | Fddd (70) | ✔ | 6 | 84 | 3 | 0.2122 | 0.894 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba2P7I | ICSD | 426195 | P2_1/m (11) | ✔ | 20 | 124 | 1 | 1.6064 | 1.767 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2ScIrO6 | ICSD | 88153 | C2/m (12) | ✔ | 10 | 84 | 3 | 0.0 | 0.291 | 0.410 | (0;000) | ✗ | 02/02/17 |
Ba2YIrO6 | ICSD | 88155 | C2/m (12) | ✔ | 10 | 84 | 3 | 0.0 | 0.337 | 0.384 | (0;000) | ✗ | 02/02/17 |
Ba2Li3NbN4 | ICSD | 75516 | C2/c (15) | ✔ | 20 | 124 | 1 | 2.4675 | 2.594 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2Li3TaN4 | ICSD | 75031 | C2/c (15) | ✔ | 20 | 124 | 1 | 2.4459 | 2.543 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2LiReN4 | ICSD | 411453 | P2_1/m (11) | ✔ | 16 | 116 | 1 | 1.9097 | 1.910 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2Mg17 | ICSD | 150735 | R-3m (166) | ✔ | 19 | 190 | 1 | 0.0 | 0.012 | 0.675 | (0;000) | ✗ | 02/02/17 |
Ba2TaBiO6 | ICSD | 154150 | Fm-3m (225) | ✔ | 10 | 84 | 3 | 2.0464 | 2.046 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2YBiO6 | COD | 2002487 | Fm-3m (225) | ✔ | 10 | 82 | 3 | 2.1129 | 2.178 | 0.000 | (0;000) | ✗ | 05/01/17 |
CdSO4 | ICSD | 25772 | Pn2_1m (31) | ✗ | 12 | 84 | 3 | 2.8065 | 3.264 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba2CuBrO2 | COD | 2002478 | R-3m (166) | ✔ | 6 | 50 | 2 | 2.3456 | 2.346 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2YReO6 | ICSD | 97089 | P2_1/c (14) | ✔ | 20 | 164 | 3 | 0.0 | 0.029 | 0.393 | (0;000) | ✗ | 02/02/17 |
Ba2H3Br | ICSD | 415127 | P-3m1 (164) | ✔ | 6 | 30 | 1 | 2.0033 | 2.374 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2ZnSb2 | COD | 4315626 | Ibam (72) | ✔ | 10 | 84 | 1 | 0.0964 | 0.317 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cd2SnO4 | COD | 1522049 | Pbam (55) | ✔ | 14 | 124 | 3 | 0.6928 | 0.693 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsBeF3 | ICSD | 9870 | Pnma (62) | ✔ | 20 | 136 | 1 | 6.8536 | 6.961 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2SiSe4 | ICSD | 49750 | P2_1/m (11) | ✔ | 14 | 96 | 1 | 2.3537 | 2.365 | 0.000 | (0;000) | ✗ | 02/02/17 |
RuC | ICSD | 181771 | F-43m (216) | ✗ | 2 | 20 | 3 | 0.5257 | 0.839 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba2SiTe4 | ICSD | 49751 | P2_1/m (11) | ✔ | 14 | 96 | 1 | 0.9821 | 1.021 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2Sn | ICSD | 416562 | Pnma (62) | ✔ | 12 | 136 | 1 | 0.0388 | 0.039 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ga2Te5 | ICSD | 1085 | I4/m (87) | ✔ | 7 | 56 | 3 | 0.8135 | 0.828 | 0.000 | (0;000) | ✗ | 06/10/16 |
Tl2CdTe4 | ICSD | 620549 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.5551 | 0.767 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba2BrN | ICSD | 262056 | R-3m (166) | ✔ | 4 | 32 | 1 | 0.9748 | 0.975 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2CaMoO6 | ICSD | 45317 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 2.1405 | 2.212 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba3Ta2CdO9 | ICSD | 156335 | P-3m1 (164) | ✔ | 15 | 122 | 3 | 3.2317 | 3.496 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba3In2Cl2O5 | COD | 2002522 | I4/mmm (139) | ✔ | 12 | 100 | 2 | 1.6797 | 2.375 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba3InS4Cl | ICSD | 427796 | I4/mcm (140) | ✔ | 18 | 148 | 1 | 2.8306 | 2.941 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba3InSe4Cl | ICSD | 250812 | I4/mcm (140) | ✔ | 18 | 148 | 3 | 2.301 | 2.403 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba3Cr2O8 | COD | 2216715 | R-3m (166) | ✔ | 13 | 106 | 1 | 0.0 | 0.000 | 0.359 | (0;000) | ✗ | 02/02/17 |
Ba3CrN3 | ICSD | 154802 | P6_3/m (176) | ✔ | 14 | 118 | 1 | 0.0 | 0.000 | 0.336 | (0;000) | ✗ | 02/02/17 |
Ba2CaOsO6 | ICSD | 171988 | Fm-3m (225) | ✔ | 10 | 82 | 1 | 0.0 | 0.000 | 0.191 | (0;000) | ✗ | 05/01/17 |
CdPS3 | ICSD | 80875 | R3 (146) | ✗ | 10 | 70 | 0 | 1.8394 | 2.251 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba2CaTeO6 | ICSD | 246112 | Fm-3m (225) | ✔ | 10 | 72 | 1 | 3.1007 | 3.101 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2CaWO6 | ICSD | 76436 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 2.8479 | 2.918 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cd2P3Cl | ICSD | 100818 | Cc (9) | ✗ | 12 | 92 | 3 | 1.2195 | 1.493 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba3GeO | ICSD | 50512 | Pnma (62) | ✔ | 20 | 160 | 1 | 0.0982 | 0.098 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba3(InP2)2 | ICSD | 402812 | C2/c (15) | ✔ | 18 | 152 | 2 | 1.1479 | 1.148 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2CuClO2 | COD | 2002176 | R-3m (166) | ✔ | 6 | 50 | 2 | 2.3733 | 2.373 | 0.000 | (0;000) | ✗ | 05/01/17 |
Mg3Ge | ICSD | 70070 | P-1 (2) | ✔ | 8 | 68 | 1 | 0.0 | 0.000 | 0.605 | (0;000) | ✗ | 06/10/16 |
Cd2P3I | ICSD | 100816 | Cc (9) | ✗ | 12 | 92 | 3 | 0.9951 | 1.364 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba3MgNb2O9 | ICSD | 95406 | P-3m1 (164) | ✔ | 15 | 120 | 3 | 2.0458 | 2.122 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2H3Cl | ICSD | 416893 | P-3m1 (164) | ✔ | 6 | 30 | 1 | 2.1081 | 2.626 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2NCl | ICSD | 262051 | R-3m (166) | ✔ | 4 | 32 | 1 | 0.9986 | 0.999 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba3SrNb2O9 | ICSD | 186191 | P-3m1 (164) | ✔ | 15 | 120 | 3 | 0.8567 | 0.857 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba3Nb2ZnO9 | ICSD | 157044 | P-3m1 (164) | ✔ | 15 | 122 | 3 | 3.1434 | 3.342 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba3N | ICSD | 77730 | P6_3/mcm (193) | ✔ | 8 | 70 | 1 | 0.0 | 0.000 | 0.810 | (0;000) | ✗ | 02/02/17 |
Ba3NiO4 | ICSD | 30662 | R-3c (167) | ✔ | 16 | 128 | 2 | 0.0 | 0.002 | 0.082 | (0;000) | ✗ | 02/02/17 |
Ba3Ta2NiO9 | ICSD | 240281 | P-3m1 (164) | ✔ | 15 | 120 | 3 | 0.0 | 0.004 | 0.638 | (0;000) | ✗ | 02/02/17 |
KClO3 | ICSD | 188311 | R3m (160) | ✗ | 5 | 34 | 1 | 4.7094 | 4.710 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba3SiO5 | COD | 2106454 | I4/mcm (140) | ✔ | 18 | 128 | 1 | 3.5175 | 3.553 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba3V2O8 | COD | 4305862 | R-3m (166) | ✔ | 13 | 104 | 1 | 3.6786 | 3.872 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba3SrTa2O9 | ICSD | 27496 | P-3m1 (164) | ✔ | 15 | 120 | 3 | 2.018 | 2.069 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2PCl | ICSD | 28134 | R-3m (166) | ✔ | 4 | 32 | 1 | 0.9165 | 0.956 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba3TiS5 | COD | 1530517 | I4/mcm (140) | ✔ | 18 | 144 | 1 | 1.4393 | 1.439 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba3Zr2S7 | COD | 2009500 | I4/mmm (139) | ✔ | 12 | 80 | 2 | 0.4227 | 0.556 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2CoReO6 | ICSD | 109254 | Fm-3m (225) | ✔ | 10 | 88 | 3 | 0.0 | 0.000 | 0.418 | (0;000) | ✗ | 05/01/17 |
KClO3 | ICSD | 9483 | R3m (160) | ✗ | 5 | 34 | 2 | 0.924 | 0.993 | 0.000 | (0;000) | ✗ | 06/10/16 |
KBa4Bi3O | COD | 2011038 | I4/mcm (140) | ✔ | 18 | 200 | 1 | 0.5807 | 0.663 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba4Na(BiO4)3 | ICSD | 77640 | Im-3m (229) | ✔ | 20 | 166 | 3 | 0.0 | 0.000 | 0.084 | (0;000) | ✗ | 02/02/17 |
KBa4Sb3O | ICSD | 410747 | I4/mcm (140) | ✔ | 18 | 140 | 1 | 0.9969 | 1.041 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba4Li(SbO4)3 | ICSD | 202200 | Im-3m (229) | ✔ | 20 | 130 | 3 | 2.0478 | 2.129 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba4Na(SbO4)3 | COD | 2001366 | Im-3m (229) | ✔ | 20 | 136 | 3 | 1.8829 | 1.962 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba4P2O | ICSD | 33906 | Cmce (64) | ✔ | 14 | 112 | 1 | 0.8159 | 0.816 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbBa4Sb3O | ICSD | 415036 | I4/mcm (140) | ✔ | 18 | 140 | 1 | 0.8848 | 0.993 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba4Sb2O | ICSD | 402284 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 0.2284 | 0.228 | 0.000 | (0;000) | ✗ | 02/02/17 |
MnClO3 | ICSD | 416749 | Ccm2_1 (36) | ✗ | 10 | 80 | 1 | 0.0 | 1.599 | 1.000 | (0;000) | ✔ | 06/10/16 |
Ba2YCu3O7 | COD | 1008485 | Pmmm (47) | ✔ | 13 | 106 | 3 | 0.0 | 0.004 | 0.965 | (0;000) | ✗ | 05/01/17 |
Sr(CdP)2 | ICSD | 30912 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.7783 | 0.778 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ba5Sb3 | ICSD | 616108 | P6_3/mcm (193) | ✔ | 16 | 130 | 1 | 0.0 | 0.000 | 0.631 | (0;000) | ✗ | 02/02/17 |
Ba5Sb4 | COD | 2008660 | Cmce (64) | ✔ | 18 | 140 | 1 | 0.2358 | 0.564 | 0.000 | (0;000) | ✗ | 02/02/17 |
LaGe | ICSD | 413736 | Ccmm (63) | ✔ | 8 | 28 | 3 | 0.0 | 0.028 | 0.459 | (0;000) | ✗ | 06/10/16 |
RbClO3 | ICSD | 10283 | R3m (160) | ✗ | 5 | 34 | 1 | 5.3969 | 5.397 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba2Fe2S2OF2 | ICSD | 249689 | I4/mmm (139) | ✔ | 9 | 68 | 1 | 0.0 | 0.004 | 0.451 | (0;000) | ✗ | 05/01/17 |
RbClO3 | ICSD | 36260 | R3m (160) | ✗ | 5 | 34 | 1 | 5.3577 | 5.830 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba2Fe2Se2OF2 | ICSD | 249687 | I4/mmm (139) | ✔ | 9 | 68 | 1 | 0.0 | 0.004 | 0.487 | (0;000) | ✗ | 05/01/17 |
Ba(BiPd)2 | ICSD | 416299 | P2_1/m (11) | ✔ | 10 | 152 | 3 | 0.0 | 0.059 | 0.739 | (0;000) | ✗ | 02/02/17 |
BaZnBi2 | ICSD | 58638 | I4/mmm (139) | ✔ | 8 | 104 | 1 | 0.0 | 0.043 | 0.147 | (0;000) | ✗ | 02/02/17 |