▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ba(CuSe)2 | COD | 1521194 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.4905 | 0.491 | 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 |
BaBr2 | COD | 1527183 | Pnma (62) | ✔ | 12 | 96 | 1 | 4.134 | 4.134 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba5Sn3 | COD | 7221208 | I4/mcm (140) | ✔ | 16 | 184 | 1 | 0.0 | 0.021 | 0.569 | (0;111) | ✗ | 02/02/17 |
Ba5Sb4 | COD | 2008660 | Cmce (64) | ✔ | 18 | 140 | 1 | 0.2358 | 0.564 | 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 |
Ba3TiS5 | COD | 1530517 | I4/mcm (140) | ✔ | 18 | 144 | 1 | 1.4393 | 1.439 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba3SiO5 | COD | 2106454 | I4/mcm (140) | ✔ | 18 | 128 | 1 | 3.5175 | 3.553 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba3Mn2O8 | COD | 2008132 | R-3m (166) | ✔ | 13 | 108 | 1 | 0.0 | 0.002 | 0.678 | (0;111) | ✗ | 02/02/17 |
Ba2GaGeN | COD | 1005040 | P2_1/m (11) | ✔ | 10 | 84 | 1 | 0.0 | 0.214 | 0.062 | (0;000) | ✗ | 02/02/17 |
Ba2CuBrO2 | COD | 2002478 | R-3m (166) | ✔ | 6 | 50 | 2 | 2.3456 | 2.346 | 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 |
Ba2CuF6 | COD | 7221242 | Cmce (64) | ✔ | 18 | 146 | 1 | 0.0 | 0.000 | 0.956 | (0;110) | ✗ | 02/02/17 |
Sr3(B3Rh4)2 | COD | 1511642 | Fmmm (69) | ✔ | 17 | 184 | 3 | 0.0 | 0.006 | 0.684 | (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 |
Ba(Ni2B)6 | COD | 8103483 | R-3m (166) | ✔ | 19 | 148 | 3 | 0.0 | 0.000 | 0.748 | (1;111) | ✗ | 02/02/17 |
B9N | COD | 1525095 | I4/mmm (139) | ✔ | 10 | 32 | 1 | 0.0 | 0.001 | 0.538 | (0;111) | ✗ | 05/01/17 |
SrB6 | COD | 5910016 | Pm-3m (221) | ✔ | 7 | 28 | 3 | 0.1634 | 0.163 | 0.000 | (0;000) | ✗ | 05/01/17 |
SiB6 | COD | 1511645 | Pm-3m (221) | ✔ | 7 | 22 | 3 | 0.4197 | 1.416 | 0.000 | (0;000) | ✗ | 05/01/17 |
B6O | COD | 1511635 | R-3m (166) | ✔ | 14 | 48 | 3 | 1.679 | 1.679 | 0.000 | (0;000) | ✗ | 05/01/17 |
B2Mo2Ir | COD | 1510720 | Pnnm (58) | ✔ | 20 | 204 | 3 | 0.0 | 0.003 | 0.624 | (1;000) | ✗ | 02/02/17 |
Sr(Ni2B)6 | COD | 8103490 | R-3m (166) | ✔ | 19 | 148 | 3 | 0.0 | 0.001 | 0.724 | (0;000) | ✗ | 05/01/17 |
Na2BeB2O5 | COD | 2214424 | C2/c (15) | ✔ | 20 | 116 | 1 | 4.9414 | 4.981 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaB6 | COD | 1011310 | Pm-3m (221) | ✔ | 7 | 28 | 3 | 0.1914 | 0.191 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ca(Ni2B)6 | COD | 8103487 | R-3m (166) | ✔ | 19 | 148 | 3 | 0.0 | 0.003 | 0.766 | (1;111) | ✗ | 05/01/17 |
BaB6 | COD | 1009052 | Pm-3m (221) | ✔ | 7 | 28 | 3 | 0.0 | 0.006 | 0.010 | (1;111) | ✗ | 05/01/17 |
PAuS4 | COD | 1510268 | P-1 (2) | ✔ | 12 | 80 | 1 | 1.0351 | 1.410 | 0.000 | (0;000) | ✗ | 02/02/17 |
B4Rh5 | COD | 1511510 | P6_3/mmc (194) | ✔ | 18 | 194 | 3 | 0.0 | 0.000 | 0.866 | (0;000) | ✗ | 05/01/17 |
NaSnAu | COD | 1510245 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.005 | 0.359 | (1;000) | ✗ | 02/02/17 |
Na2SbAu | COD | 7209394 | Cmcm (63) | ✔ | 8 | 68 | 1 | 0.1268 | 0.189 | 0.000 | (0;000) | ✗ | 02/02/17 |
Mg2Au | COD | 1510233 | Pnma (62) | ✔ | 12 | 124 | 3 | 0.0 | 0.002 | 0.777 | (0;011) | ✗ | 02/02/17 |
Li3AuS2 | COD | 4319430 | Ibam (72) | ✔ | 12 | 64 | 1 | 1.7845 | 1.785 | 0.000 | (0;000) | ✗ | 02/02/17 |
MgB4Os3 | COD | 1511478 | Cmcm (63) | ✔ | 16 | 140 | 3 | 0.0 | 0.042 | 0.716 | (0;110) | ✗ | 05/01/17 |
MgB4 | COD | 1511477 | Pnma (62) | ✔ | 20 | 88 | 3 | 0.2631 | 0.700 | 0.000 | (0;000) | ✗ | 05/01/17 |
TeAuI | COD | 1510182 | P2_1/c (14) | ✔ | 12 | 96 | 2 | 0.8628 | 1.046 | 0.000 | (0;000) | ✗ | 02/02/17 |
ScB4Ir3 | COD | 1511750 | P6_3/m (176) | ✔ | 16 | 148 | 3 | 0.0 | 0.001 | 0.211 | (1;000) | ✗ | 05/01/17 |
HfB4Ir3 | COD | 2105436 | P6_3/m (176) | ✔ | 16 | 150 | 3 | 0.0 | 0.000 | 0.587 | (0;000) | ✗ | 05/01/17 |
Fe2B4Mo | COD | 1511736 | Immm (71) | ✔ | 7 | 42 | 3 | 0.0 | 0.004 | 0.772 | (1;000) | ✗ | 05/01/17 |
RbAuI3 | COD | 2206809 | C2/m (12) | ✔ | 10 | 82 | 1 | 0.64 | 0.778 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb3Ge4Au | COD | 1510175 | Pmmn (59) | ✔ | 16 | 108 | 3 | 0.8011 | 0.975 | 0.000 | (0;000) | ✗ | 02/02/17 |
Co2B4Mo | COD | 1511696 | Immm (71) | ✔ | 7 | 60 | 3 | 0.0 | 0.028 | 0.603 | (1;111) | ✗ | 05/01/17 |
V2B3 | COD | 1510956 | Cmcm (63) | ✔ | 10 | 70 | 3 | 0.0 | 0.000 | 0.911 | (0;110) | ✗ | 05/01/17 |
B3Ru2 | COD | 1510952 | P6_3/mmc (194) | ✔ | 10 | 82 | 3 | 0.0 | 0.000 | 0.995 | (1;000) | ✗ | 05/01/17 |
CsAuO | COD | 1510102 | I4/mmm (139) | ✔ | 12 | 104 | 2 | 1.8084 | 1.808 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsAuI3 | COD | 2006239 | I4/mmm (139) | ✔ | 10 | 82 | 3 | 0.7154 | 0.730 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbI | COD | 9009738 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 3.5916 | 3.592 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ni4B3 | COD | 1510942 | C2/c (15) | ✔ | 14 | 98 | 3 | 0.0 | 0.000 | 0.809 | (1;101) | ✗ | 05/01/17 |
RbIO3 | COD | 5910051 | Pm-3m (221) | ✔ | 5 | 34 | 3 | 0.0 | 0.017 | 0.103 | (1;111) | ✗ | 30/01/17 |
I | COD | 1010091 | Cmce (64) | ✔ | 4 | 28 | 1 | 0.9685 | 1.149 | 0.000 | (0;000) | ✗ | 30/01/17 |
IN | COD | 9014835 | Fm-3m (225) | ✔ | 2 | 12 | 1 | 0.0 | 0.034 | 0.639 | (0;000) | ✗ | 30/01/17 |