Ge2I2O2
MatHub2d-1482-Ge2I2O2
| Property |
Value |
| Space group |
(59, 'Pmmn') |
| Crystal system |
rectangular |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-25.687 |
| Free energy / atom (eV) |
-4.281 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.809 | 3.896 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.812 | 3.901 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.369 eV |
| Vacuum level |
2.806 eV |
| VBM |
-2.372 eV |
| CBM |
-2.363 eV |
| Work function |
5.175 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.369 eV |
| Vacuum level |
2.806 eV |
| VBM |
-2.372 eV |
| CBM |
-2.363 eV |
| Work function |
5.175 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
48.784 |
32.193 |
0.000 |
| yy |
32.193 |
105.681 |
0.000 |
| xy |
0.000 |
0.000 |
27.404 |
| Phonon mode at Γ point (THz) |
| Property |
Value |
| from where |
c2db-145 |
