▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BaSb2 | COD | 8100903 | P2_1/m (11) | ✔ | 6 | 40 | 1 | 0.0 | 0.056 | 0.102 | (0;010) | ✗ | 02/02/17 |
BaSi6 | COD | 8103027 | Cmcm (63) | ✔ | 14 | 68 | 3 | 0.0 | 0.004 | 0.931 | (0;110) | ✗ | 02/02/17 |
BCl | COD | 9008995 | P4_2/nmc (137) | ✔ | 16 | 80 | 2 | 3.0503 | 3.056 | 0.000 | (0;000) | ✗ | 02/02/17 |
BiBO3 | COD | 7209481 | P2_1/c (14) | ✔ | 20 | 144 | 3 | 2.9857 | 2.986 | 0.000 | (0;000) | ✗ | 02/02/17 |
BCl3 | COD | 1511049 | P6_3/m (176) | ✔ | 8 | 48 | 1 | 3.2405 | 3.349 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li2CdSnS4 | COD | 4302974 | Pmn2_1 (31) | ✗ | 16 | 112 | 2 | 2.0977 | 2.098 | 0.000 | (0;000) | ✗ | 22/03/17 |
Y6WO12 | COD | 1525900 | R-3 (148) | ✔ | 19 | 152 | 3 | 2.6184 | 2.679 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2SiP2 | COD | 1008522 | Ibam (72) | ✔ | 10 | 64 | 1 | 1.3238 | 1.545 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbCdCl3 | COD | 1530478 | Pnma (62) | ✔ | 20 | 168 | 1 | 3.7589 | 3.876 | 0.000 | (0;000) | ✗ | 02/02/17 |
RuBr3 | COD | 4000457 | P6_3/mcm (193) | ✔ | 8 | 74 | 1 | 0.0 | 0.000 | 0.768 | (0;000) | ✗ | 02/02/17 |
Nb(SeBr)2 | COD | 4030178 | C2/m (12) | ✔ | 10 | 78 | 2 | 0.7817 | 0.861 | 0.000 | (0;000) | ✗ | 02/02/17 |
InBiO3 | COD | 4002372 | Pnma (62) | ✔ | 20 | 184 | 3 | 2.1564 | 2.242 | 0.000 | (0;000) | ✗ | 02/02/17 |
Bi3ClO4 | COD | 8101670 | C2/c (15) | ✔ | 16 | 152 | 2 | 2.3289 | 2.362 | 0.000 | (0;000) | ✗ | 02/02/17 |
Bi2O3 | COD | 1010004 | P2_1/c (14) | ✔ | 20 | 192 | 3 | 0.0 | 0.077 | 0.116 | (1;000) | ✗ | 02/02/17 |
CaMnBi2 | COD | 7221108 | P4/nmm (129) | ✔ | 8 | 110 | 1 | 0.0 | 0.000 | 0.864 | (0;000) | ✗ | 02/02/17 |
Ni3(BiSe)2 | COD | 1524228 | C2/m (12) | ✔ | 14 | 144 | 3 | 0.0 | 0.013 | 0.816 | (1;111) | ✗ | 02/02/17 |
Bi2Se3 | COD | 9013424 | Pnma (62) | ✔ | 20 | 192 | 2 | 0.5823 | 0.586 | 0.000 | (0;000) | ✗ | 02/02/17 |
Bi2O3 | COD | 9012546 | P2_1/c (14) | ✔ | 20 | 192 | 3 | 2.2166 | 2.249 | 0.000 | (0;000) | ✗ | 02/02/17 |
Bi2S3 | COD | 9007404 | Pnma (62) | ✔ | 20 | 192 | 3 | 0.6092 | 0.630 | 0.000 | (0;000) | ✗ | 02/02/17 |
GaBiO3 | COD | 4002370 | Pcca (54) | ✔ | 20 | 184 | 3 | 1.8816 | 1.936 | 0.000 | (0;000) | ✗ | 02/02/17 |
FeBi4S7 | COD | 4508261 | C2/m (12) | ✔ | 12 | 110 | 3 | 0.0 | 0.045 | 0.019 | (0;000) | ✗ | 02/02/17 |
In5Bi3 | COD | 1527696 | I4/mcm (140) | ✔ | 16 | 220 | 3 | 0.0 | 0.024 | 0.683 | (1;000) | ✗ | 02/02/17 |
BI3 | COD | 1511187 | P6_3/m (176) | ✔ | 8 | 48 | 1 | 2.4263 | 2.517 | 0.000 | (0;000) | ✗ | 02/02/17 |
BiF3 | COD | 1527437 | Pnma (62) | ✔ | 16 | 144 | 3 | 3.6893 | 3.690 | 0.000 | (0;000) | ✗ | 02/02/17 |
BiBr3 | COD | 8103605 | P2_1/c (14) | ✔ | 16 | 144 | 2 | 2.133 | 2.198 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuBiS2 | COD | 9009502 | Pnma (62) | ✔ | 16 | 152 | 3 | 0.3737 | 0.450 | 0.000 | (0;000) | ✗ | 02/02/17 |
Nb(SeBr)2 | COD | 4030177 | P-1 (2) | ✔ | 10 | 78 | 2 | 0.0 | 0.066 | 0.211 | (1;001) | ✗ | 02/02/17 |
Sr2Bi | COD | 9008355 | I4/mmm (139) | ✔ | 6 | 70 | 1 | 0.0 | 0.033 | 0.051 | (0;111) | ✗ | 02/02/17 |
MnBiO3 | COD | 4340611 | C2/c (15) | ✔ | 20 | 192 | 3 | 0.0 | 0.011 | 0.416 | (0;000) | ✗ | 02/02/17 |
BiSeI | COD | 2010577 | Pnma (62) | ✔ | 12 | 112 | 1 | 0.8997 | 0.935 | 0.000 | (0;000) | ✗ | 02/02/17 |
MnBiO3 | COD | 4340609 | Pnma (62) | ✔ | 20 | 192 | 3 | 0.0 | 0.005 | 0.512 | (0;000) | ✗ | 02/02/17 |
BiPPb2 | COD | 1531358 | Pnma (62) | ✔ | 16 | 192 | 1 | 0.0 | 0.031 | 0.331 | (0;000) | ✗ | 02/02/17 |
Na3Bi | COD | 1010291 | P6_3/mmc (194) | ✔ | 8 | 84 | 1 | 0.0 | 0.026 | 0.008 | (1;000) | ✗ | 02/02/17 |
Bi | COD | 9012437 | P6_3/mmc (194) | ✔ | 2 | 30 | 1 | 0.0 | 0.000 | 0.839 | (1;000) | ✗ | 02/02/17 |
Zn(BrN)2 | COD | 9016192 | Imma (74) | ✔ | 10 | 72 | 1 | 0.0 | 0.001 | 0.725 | (1;000) | ✗ | 02/02/17 |
Na3BS3 | COD | 1511253 | C2/c (15) | ✔ | 14 | 96 | 1 | 2.5788 | 2.726 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3BP2 | COD | 8103458 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.6994 | 2.098 | 0.000 | (0;000) | ✗ | 02/02/17 |
MnB | COD | 1511485 | P4_2/ncm (138) | ✔ | 16 | 144 | 3 | 0.0 | 0.001 | 0.588 | (0;000) | ✗ | 02/02/17 |
Mg(BrO3)2 | COD | 9015252 | C2/m (12) | ✔ | 9 | 60 | 1 | 0.0 | 0.007 | 0.663 | (0;000) | ✗ | 02/02/17 |
Tl3BO3 | COD | 1511279 | P6_3/m (176) | ✔ | 14 | 120 | 3 | 1.3717 | 1.560 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb3BP2 | COD | 8103471 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.6726 | 2.002 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbSBr | COD | 1521208 | Pnma (62) | ✔ | 12 | 72 | 1 | 1.6118 | 1.785 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsHg2Br5 | COD | 1530529 | P2_1/m (11) | ✔ | 16 | 136 | 1 | 2.1222 | 2.122 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbNiBr3 | COD | 1527093 | P6_3/mmc (194) | ✔ | 10 | 80 | 1 | 0.0 | 0.014 | 0.320 | (0;000) | ✗ | 02/02/17 |
CsCdBr3 | COD | 1527655 | P6_3/mmc (194) | ✔ | 10 | 84 | 1 | 2.7458 | 2.746 | 0.000 | (0;000) | ✗ | 02/02/17 |
Nb(SeBr)2 | COD | 4031460 | P-1 (2) | ✔ | 10 | 78 | 2 | 0.919 | 0.973 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrBr2 | COD | 9009205 | Pnma (62) | ✔ | 12 | 96 | 1 | 3.4695 | 3.470 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbSeBr3 | COD | 4030713 | P2/c (13) | ✔ | 20 | 160 | 1 | 0.0742 | 0.158 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsVBr3 | COD | 1530067 | P6_3/mmc (194) | ✔ | 10 | 86 | 1 | 0.0 | 0.000 | 0.745 | (0;000) | ✗ | 02/02/17 |
MoBr3 | COD | 1525597 | Cmcm (63) | ✔ | 8 | 70 | 1 | 0.0 | 0.000 | 0.463 | (0;110) | ✗ | 02/02/17 |