As2Ge6
MatHub2d-54-As2Ge6
| Property |
Value |
| Space group |
(191, 'P6/mmm') |
| Crystal system |
hexagonal |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-31.167 |
| Free energy / atom (eV) |
-3.896 |
Lattice Parameters (basic)
| a, b, c (Å): | 8.439 | 8.439 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 8.436 | 8.436 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.608 eV |
| Vacuum level |
0.915 eV |
| VBM |
-3.612 eV |
| CBM |
-3.608 eV |
| Work function |
4.523 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.608 eV |
| Vacuum level |
0.915 eV |
| VBM |
-3.612 eV |
| CBM |
-3.608 eV |
| Work function |
4.523 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
17.691 |
46.261 |
-0.000 |
| yy |
46.261 |
17.691 |
0.000 |
| xy |
-0.000 |
0.000 |
-14.285 |
| Phonon mode at Γ point (THz) |
| -3.514 |
| -2.678 |
| -1.944 |
| -1.944 |
| -1.388 |
| -1.388 |
| -1.112 |
| -0.011 |
| -0.011 |
| 0.028 |
| 1.184 |
| 1.184 |
| 1.489 |
| 5.079 |
| 5.404 |
| 5.404 |
| 5.734 |
| 5.734 |
| 5.841 |
| 6.912 |
| 6.912 |
| 7.485 |
| 7.485 |
| 8.079 |
| Property |
Value |
| from where |
c2db-713 |
