▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Be2W | ICSD | 616501 | P6_3/mmc (194) | ✔ | 12 | 88 | 3 | 0.0 | 0.153 | 1.000 | (1;001) | ✗ | 27/01/17 |
B5W2 | ICSD | 615696 | P6_3/mmc (194) | ✔ | 14 | 86 | 3 | 0.0 | 0.000 | 1.000 | (1;011) | ✗ | 27/01/17 |
ScB2Os | ICSD | 615126 | Pnma (62) | ✔ | 16 | 132 | 3 | 0.0 | 0.002 | 0.259 | (1;011) | ✗ | 27/01/17 |
KNa2BO3 | ICSD | 33261 | Pmmn (59) | ✔ | 14 | 96 | 1 | 2.9589 | 3.196 | 0.000 | (0;000) | ✗ | 05/01/17 |
KNa2BN2 | ICSD | 236557 | I4/mmm (139) | ✔ | 6 | 40 | 1 | 1.9048 | 2.280 | 0.000 | (0;000) | ✗ | 05/01/17 |
TlBiTe2 | COD | 2310403 | R-3m (166) | ✔ | 4 | 40 | 3 | 0.0 | 0.197 | 0.022 | (0;000) | ✗ | 05/01/17 |
TlBiSe2 | ICSD | 617113 | R-3m (166) | ✔ | 4 | 40 | 3 | 0.0837 | 0.084 | 0.000 | (1;000) | ✗ | 05/01/17 |
TlBiS2 | COD | 2209681 | R-3m (166) | ✔ | 4 | 40 | 2 | 0.0991 | 0.099 | 0.000 | (1;000) | ✗ | 05/01/17 |
LiBIr | COD | 1511190 | Fddd (70) | ✔ | 12 | 92 | 3 | 0.0 | 0.038 | 0.253 | (1;111) | ✗ | 05/01/17 |
BiRh | COD | 9008914 | P6_3/mmc (194) | ✔ | 4 | 64 | 3 | 0.0 | 0.008 | 0.572 | (0;000) | ✗ | 05/01/17 |
RbBiS2 | ICSD | 52735 | R-3m (166) | ✔ | 4 | 36 | 2 | 1.0427 | 1.171 | 0.000 | (0;000) | ✗ | 05/01/17 |
Rb3Bi | ICSD | 616996 | Fm-3m (225) | ✔ | 4 | 42 | 1 | 0.0996 | 0.410 | 0.000 | (0;000) | ✗ | 05/01/17 |
BiPt | COD | 9008911 | P6_3/mmc (194) | ✔ | 4 | 50 | 3 | 0.0 | 0.000 | 0.879 | (1;000) | ✗ | 05/01/17 |
BiPd | COD | 9004224 | P6_3/mmc (194) | ✔ | 4 | 66 | 3 | 0.0 | 0.000 | 0.833 | (1;000) | ✗ | 05/01/17 |
YBiPd2 | ICSD | 58842 | Fm-3m (225) | ✔ | 4 | 62 | 3 | 0.0 | 0.000 | 0.234 | (1;000) | ✗ | 05/01/17 |
Bi | COD | 9012006 | P6_3/mmc (194) | ✔ | 2 | 30 | 1 | 0.0 | 0.000 | 0.565 | (1;000) | ✗ | 05/01/17 |
Bi | COD | 8100521 | C2/m (12) | ✔ | 2 | 30 | 3 | 0.0 | 0.042 | 0.657 | (0;001) | ✗ | 05/01/17 |
VBiO4 | COD | 9012062 | I4_1/a (88) | ✔ | 12 | 104 | 3 | 2.1086 | 2.165 | 0.000 | (0;000) | ✗ | 05/01/17 |
VBiO4 | COD | 9011741 | I4_1/amd (141) | ✔ | 12 | 104 | 3 | 2.5386 | 2.543 | 0.000 | (0;000) | ✗ | 05/01/17 |
BiSbO4 | ICSD | 35478 | C2/c (15) | ✔ | 12 | 88 | 3 | 2.6573 | 2.690 | 0.000 | (0;000) | ✗ | 05/01/17 |
ReBiO4 | COD | 1522924 | Cmcm (63) | ✔ | 12 | 108 | 3 | 0.0 | 0.030 | 0.756 | (0;000) | ✗ | 05/01/17 |
BiPO4 | COD | 7023720 | P2_1/m (11) | ✔ | 12 | 88 | 3 | 3.4763 | 3.555 | 0.000 | (0;000) | ✗ | 05/01/17 |
Bi(PdO2)2 | ICSD | 263051 | P-1 (2) | ✔ | 14 | 150 | 3 | 0.0 | 0.134 | 0.105 | (0;000) | ✗ | 05/01/17 |
SrBiO3 | COD | 2000656 | Cmcm (63) | ✔ | 10 | 86 | 1 | 0.0 | 0.000 | 0.951 | (1;110) | ✗ | 05/01/17 |
RbBiO2 | ICSD | 407208 | C2/c (15) | ✔ | 8 | 72 | 1 | 2.0422 | 2.042 | 0.000 | (0;000) | ✗ | 05/01/17 |
BiO2 | COD | 9009765 | C2/c (15) | ✔ | 12 | 108 | 3 | 1.529 | 1.615 | 0.000 | (0;000) | ✗ | 05/01/17 |
InBO6 | COD | 5910089 | R-3m (166) | ✔ | 8 | 52 | 3 | 0.0 | 0.007 | 0.415 | (0;000) | ✗ | 05/01/17 |
InBO3 | COD | 2010257 | R-3c (167) | ✔ | 10 | 68 | 3 | 3.0882 | 3.509 | 0.000 | (0;000) | ✗ | 05/01/17 |
NiBi | ICSD | 616868 | P6_3/mmc (194) | ✔ | 4 | 50 | 3 | 0.0 | 0.000 | 0.814 | (1;000) | ✗ | 05/01/17 |
NaBiO3 | COD | 1526788 | R-3 (148) | ✔ | 10 | 84 | 1 | 1.4476 | 1.542 | 0.000 | (0;000) | ✗ | 05/01/17 |
NaBiO2 | COD | 8103708 | C2/c (15) | ✔ | 8 | 72 | 3 | 1.311 | 1.317 | 0.000 | (0;000) | ✗ | 05/01/17 |
NaBi | ICSD | 616837 | P4/mmm (123) | ✔ | 2 | 24 | 2 | 0.0 | 0.099 | 0.424 | (1;000) | ✗ | 05/01/17 |
MnBi | COD | 9008899 | P6_3/mmc (194) | ✔ | 4 | 60 | 3 | 0.0 | 0.004 | 0.449 | (0;000) | ✗ | 05/01/17 |
NaMnBi | ICSD | 616814 | P4/nmm (129) | ✔ | 6 | 78 | 1 | 0.0 | 0.000 | 0.871 | (1;000) | ✗ | 05/01/17 |
KBiO2 | COD | 1528047 | C2/c (15) | ✔ | 8 | 72 | 1 | 1.2352 | 1.245 | 0.000 | (0;000) | ✗ | 05/01/17 |
KMnBi | ICSD | 601586 | P4/nmm (129) | ✔ | 6 | 78 | 1 | 0.0 | 0.000 | 0.834 | (1;000) | ✗ | 05/01/17 |
KMgBi | ICSD | 616748 | P4/nmm (129) | ✔ | 6 | 68 | 1 | 0.0 | 0.015 | 0.028 | (1;000) | ✗ | 05/01/17 |
KLi6BiO6 | ICSD | 72840 | R-3m (166) | ✔ | 14 | 78 | 1 | 2.0022 | 2.002 | 0.000 | (0;000) | ✗ | 05/01/17 |
InBi | COD | 1527695 | P4/nmm (129) | ✔ | 4 | 56 | 2 | 0.0 | 0.005 | 0.282 | (0;000) | ✗ | 05/01/17 |
In2Bi | COD | 1527697 | P6_3/mmc (194) | ✔ | 6 | 82 | 3 | 0.0 | 0.000 | 0.715 | (0;000) | ✗ | 05/01/17 |
Bi | ICSD | 51674 | I4/mcm (140) | ✔ | 4 | 60 | 3 | 0.0 | 0.037 | 0.408 | (1;100) | ✗ | 05/01/17 |
Bi | ICSD | 42679 | P2_1/m (11) | ✔ | 4 | 60 | 3 | 0.0 | 0.015 | 0.308 | (1;111) | ✗ | 05/01/17 |
BiOF | COD | 9009163 | P4/nmm (129) | ✔ | 6 | 56 | 1 | 2.8147 | 2.815 | 0.000 | (0;000) | ✗ | 05/01/17 |
RbBiF6 | COD | 1527498 | R-3 (148) | ✔ | 8 | 66 | 1 | 4.8559 | 4.856 | 0.000 | (0;000) | ✗ | 05/01/17 |
Rb2NaBiF6 | ICSD | 9386 | Fm-3m (225) | ✔ | 10 | 84 | 1 | 4.1294 | 4.307 | 0.000 | (0;000) | ✗ | 05/01/17 |
NaBiF6 | COD | 1527497 | R-3 (148) | ✔ | 8 | 66 | 1 | 2.9849 | 3.074 | 0.000 | (0;000) | ✗ | 05/01/17 |
LiBiF6 | COD | 1527496 | R-3 (148) | ✔ | 8 | 60 | 1 | 4.6256 | 4.696 | 0.000 | (0;000) | ✗ | 05/01/17 |
BiF3 | COD | 7202532 | Fm-3m (225) | ✔ | 4 | 36 | 3 | 3.1637 | 3.298 | 0.000 | (0;000) | ✗ | 05/01/17 |
SrCuBi | ICSD | 58777 | P6_3/mmc (194) | ✔ | 6 | 72 | 2 | 0.0 | 0.001 | 0.153 | (1;000) | ✗ | 05/01/17 |
CuBiTeO | ICSD | 187824 | P4/nmm (129) | ✔ | 8 | 76 | 3 | 0.0 | 0.011 | 0.156 | (1;001) | ✗ | 05/01/17 |
CuBiSeO | ICSD | 75128 | P4/nmm (129) | ✔ | 8 | 76 | 3 | 0.0992 | 0.171 | 0.000 | (0;000) | ✗ | 05/01/17 |
CsBiO2 | ICSD | 406564 | C2/c (15) | ✔ | 8 | 72 | 1 | 2.3819 | 2.391 | 0.000 | (0;000) | ✗ | 05/01/17 |
CsBiF6 | COD | 1527499 | R-3 (148) | ✔ | 8 | 66 | 1 | 4.0108 | 4.011 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cs2NaBiF6 | ICSD | 9382 | Fm-3m (225) | ✔ | 10 | 84 | 1 | 3.9382 | 4.363 | 0.000 | (0;000) | ✗ | 05/01/17 |
BiClO | COD | 4509949 | P4/nmm (129) | ✔ | 6 | 56 | 2 | 2.3075 | 2.699 | 0.000 | (0;000) | ✗ | 05/01/17 |
SrBiClO2 | ICSD | 84636 | Cmcm (63) | ✔ | 10 | 88 | 1 | 3.1208 | 3.196 | 0.000 | (0;000) | ✗ | 05/01/17 |
BiPbClO2 | COD | 9012425 | Cmcm (63) | ✔ | 10 | 96 | 2 | 1.7889 | 1.813 | 0.000 | (0;000) | ✗ | 05/01/17 |
CdBiClO2 | COD | 2012362 | P2_1/m (11) | ✔ | 10 | 92 | 3 | 2.8582 | 3.016 | 0.000 | (0;000) | ✗ | 05/01/17 |
CaCuBi | ICSD | 57018 | P6_3/mmc (194) | ✔ | 6 | 72 | 2 | 0.0 | 0.013 | 0.213 | (1;000) | ✗ | 05/01/17 |
CaBiClO2 | ICSD | 84635 | P2_1/m (11) | ✔ | 10 | 88 | 1 | 3.3755 | 3.652 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ca3BiN | COD | 1527230 | Pm-3m (221) | ✔ | 5 | 50 | 1 | 0.025 | 0.025 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ca2Bi | COD | 9008354 | I4/mmm (139) | ✔ | 6 | 70 | 1 | 0.0 | 0.064 | 0.059 | (0;000) | ✗ | 05/01/17 |
BiBrO | COD | 9009161 | P4/nmm (129) | ✔ | 6 | 56 | 2 | 1.8229 | 1.982 | 0.000 | (0;000) | ✗ | 05/01/17 |
Bi2Te3 | COD | 9011962 | R-3m (166) | ✔ | 5 | 48 | 2 | 0.1253 | 0.128 | 0.000 | (1;000) | ✗ | 05/01/17 |
Bi2Te2S | COD | 9008043 | R-3m (166) | ✔ | 5 | 48 | 2 | 0.2724 | 0.346 | 0.000 | (1;000) | ✗ | 05/01/17 |
Bi2Te2Se | ICSD | 43512 | R-3m (166) | ✔ | 5 | 48 | 2 | 0.2809 | 0.290 | 0.000 | (1;000) | ✗ | 05/01/17 |
Bi2Se3 | COD | 9011965 | R-3m (166) | ✔ | 5 | 48 | 2 | 0.2711 | 0.347 | 0.000 | (1;000) | ✗ | 05/01/17 |
Bi2TeSe2 | COD | 9004849 | R-3m (166) | ✔ | 5 | 48 | 2 | 0.1758 | 0.318 | 0.000 | (1;000) | ✗ | 05/01/17 |
Bi2Pd | COD | 9012857 | I4/mmm (139) | ✔ | 3 | 48 | 2 | 0.0 | 0.384 | 0.383 | (1;000) | ✗ | 05/01/17 |
Bi2Pd | COD | 9012855 | C2/m (12) | ✔ | 6 | 96 | 3 | 0.0 | 0.125 | 0.692 | (1;000) | ✗ | 05/01/17 |
Bi2O3 | COD | 1010311 | Pn-3m (224) | ✔ | 10 | 96 | 3 | 0.0 | 0.003 | 0.667 | (1;000) | ✗ | 05/01/17 |
Bi2SO2 | ICSD | 29451 | Pnnm (58) | ✔ | 10 | 96 | 3 | 0.5844 | 0.953 | 0.000 | (0;000) | ✗ | 05/01/17 |
Bi2SeO2 | ICSD | 411143 | I4/mmm (139) | ✔ | 5 | 48 | 3 | 0.2634 | 1.044 | 0.000 | (0;000) | ✗ | 05/01/17 |
Mg3Bi2 | ICSD | 659569 | P-3m1 (164) | ✔ | 5 | 60 | 2 | 0.0 | 0.173 | 0.176 | (1;000) | ✗ | 05/01/17 |
Sr(MgBi)2 | ICSD | 616807 | P-3m1 (164) | ✔ | 5 | 60 | 2 | 0.0348 | 0.035 | 0.000 | (0;000) | ✗ | 05/01/17 |
Li3YBi2 | ICSD | 616795 | P-3m1 (164) | ✔ | 6 | 50 | 2 | 0.0 | 0.051 | 0.212 | (1;000) | ✗ | 05/01/17 |
YBi2ClO4 | ICSD | 92405 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 1.2683 | 1.494 | 0.000 | (0;000) | ✗ | 05/01/17 |
InBi2S4Cl | ICSD | 484 | C2/m (12) | ✔ | 8 | 74 | 2 | 1.5901 | 1.742 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ca(MnBi)2 | ICSD | 41791 | P-3m1 (164) | ✔ | 5 | 70 | 2 | 0.0 | 0.008 | 0.603 | (1;001) | ✗ | 05/01/17 |
Ca(MgBi)2 | COD | 7221203 | P-3m1 (164) | ✔ | 5 | 60 | 2 | 0.0171 | 0.017 | 0.000 | (0;000) | ✗ | 05/01/17 |
YBi2BrO4 | ICSD | 92418 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 1.1464 | 1.579 | 0.000 | (0;000) | ✗ | 05/01/17 |
HfBRh3 | ICSD | 614447 | Pm-3m (221) | ✔ | 5 | 66 | 3 | 0.0451 | 0.109 | 0.000 | (0;111) | ✗ | 05/01/17 |
RbBH4 | COD | 4315653 | P4/nmm (129) | ✔ | 12 | 32 | 1 | 6.0005 | 6.001 | 0.000 | (0;000) | ✗ | 05/01/17 |
BH3 | ICSD | 15598 | P2_1/c (14) | ✔ | 16 | 24 | 1 | 5.9279 | 5.928 | 0.000 | (0;000) | ✗ | 05/01/17 |
GaBO3 | COD | 1520321 | R-3c (167) | ✔ | 10 | 68 | 3 | 4.3438 | 4.344 | 0.000 | (0;000) | ✗ | 05/01/17 |
FeB | COD | 1011336 | Pnma (62) | ✔ | 8 | 44 | 3 | 0.0 | 0.000 | 0.776 | (0;011) | ✗ | 05/01/17 |
FeB | COD | 1010477 | Pnma (62) | ✔ | 8 | 44 | 3 | 0.0 | 0.001 | 0.652 | (0;011) | ✗ | 05/01/17 |
FeBO3 | COD | 1511131 | R-3c (167) | ✔ | 10 | 58 | 3 | 0.0 | 0.001 | 0.646 | (0;000) | ✗ | 05/01/17 |
FeB | ICSD | 33577 | Pnma (62) | ✔ | 8 | 44 | 3 | 0.0 | 0.000 | 0.520 | (0;011) | ✗ | 05/01/17 |
FeB | ICSD | 153475 | P4_2/ncm (138) | ✔ | 16 | 88 | 3 | 0.0 | 0.005 | 0.424 | (0;000) | ✗ | 05/01/17 |
Fe5Si2B | ICSD | 614184 | I4/mcm (140) | ✔ | 16 | 102 | 3 | 0.0 | 0.000 | 0.783 | (1;111) | ✗ | 05/01/17 |
Fe3BO5 | COD | 1511157 | P2/m (10) | ✔ | 18 | 114 | 3 | 0.0 | 0.005 | 0.752 | (1;100) | ✗ | 05/01/17 |
Fe3B | ICSD | 260757 | Pnma (62) | ✔ | 16 | 108 | 3 | 0.0 | 0.000 | 0.611 | (0;110) | ✗ | 05/01/17 |
Fe2NiB | ICSD | 614129 | Pnma (62) | ✔ | 16 | 116 | 3 | 0.0 | 0.000 | 0.593 | (1;110) | ✗ | 05/01/17 |
Li2BF5 | ICSD | 426821 | I4_1/amd (141) | ✔ | 16 | 88 | 1 | 7.2587 | 7.289 | 0.000 | (0;000) | ✗ | 05/01/17 |
NaBF4 | COD | 9007507 | Cmcm (63) | ✔ | 12 | 80 | 1 | 8.0382 | 8.254 | 0.000 | (0;000) | ✗ | 05/01/17 |
BH3OF4 | ICSD | 15591 | P-1 (2) | ✔ | 18 | 80 | 1 | 6.1272 | 6.158 | 0.000 | (0;000) | ✗ | 05/01/17 |
BH3NF4 | ICSD | 49614 | P-1 (2) | ✔ | 18 | 78 | 1 | 7.5408 | 7.573 | 0.000 | (0;000) | ✗ | 05/01/17 |
BF2 | COD | 1510681 | P2_1/c (14) | ✔ | 12 | 68 | 1 | 5.0014 | 5.057 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ta2Be | ICSD | 58738 | I4/mcm (140) | ✔ | 6 | 60 | 3 | 0.0 | 0.005 | 0.340 | (1;000) | ✗ | 05/01/17 |