Bi2Ge6
MatHub2d-114-Bi2Ge6
| Property |
Value |
| Space group |
(191, 'P6/mmm') |
| Crystal system |
hexagonal |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-29.057 |
| Free energy / atom (eV) |
-3.632 |
Lattice Parameters (basic)
| a, b, c (Å): | 8.931 | 8.931 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 8.875 | 8.875 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.618 eV |
| Vacuum level |
0.991 eV |
| VBM |
-3.618 eV |
| CBM |
-3.614 eV |
| Work function |
4.608 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.618 eV |
| Vacuum level |
0.991 eV |
| VBM |
-3.618 eV |
| CBM |
-3.614 eV |
| Work function |
4.608 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
25.940 |
33.953 |
-0.000 |
| yy |
33.953 |
25.940 |
0.000 |
| xy |
-0.000 |
0.000 |
-4.007 |
| Phonon mode at Γ point (THz) |
| -3.456 |
| -1.910 |
| -1.752 |
| -1.752 |
| -1.043 |
| -1.043 |
| -0.915 |
| -0.006 |
| -0.006 |
| 0.061 |
| 0.752 |
| 0.752 |
| 0.953 |
| 3.934 |
| 3.934 |
| 4.374 |
| 4.718 |
| 4.718 |
| 6.461 |
| 6.461 |
| 6.562 |
| 7.782 |
| 7.782 |
| 8.662 |
| Property |
Value |
| from where |
c2db-716 |
