Bi2Sn6
MatHub2d-129-Bi2Sn6
| Property |
Value |
| Space group |
(191, 'P6/mmm') |
| Crystal system |
hexagonal |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-25.469 |
| Free energy / atom (eV) |
-3.184 |
Lattice Parameters (basic)
| a, b, c (Å): | 9.910 | 9.910 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 9.815 | 9.815 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.344 eV |
| Vacuum level |
1.104 eV |
| VBM |
-3.346 eV |
| CBM |
-3.344 eV |
| Work function |
4.448 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.344 eV |
| Vacuum level |
1.104 eV |
| VBM |
-3.346 eV |
| CBM |
-3.344 eV |
| Work function |
4.448 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
20.280 |
27.084 |
0.000 |
| yy |
27.084 |
20.280 |
-0.000 |
| xy |
0.000 |
-0.000 |
-3.402 |
| Phonon mode at Γ point (THz) |
| -2.535 |
| -1.395 |
| -1.256 |
| -1.256 |
| -0.701 |
| -0.690 |
| -0.690 |
| -0.006 |
| -0.006 |
| 0.003 |
| 0.324 |
| 0.324 |
| 0.536 |
| 3.125 |
| 3.172 |
| 3.172 |
| 3.772 |
| 3.772 |
| 4.582 |
| 4.630 |
| 4.630 |
| 5.359 |
| 5.359 |
| 5.965 |
| Property |
Value |
| from where |
c2db-719 |
