O6Os2
MatHub2d-1643-O6Os2
| Property |
Value |
| Space group |
(11, 'P2_1/m') |
| Crystal system |
rectangular |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.03 |
| Free energy (eV) |
-50.782 |
| Free energy / atom (eV) |
-6.348 |
Lattice Parameters (basic)
| a, b, c (Å): | 5.765 | 2.602 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 5.753 | 2.611 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.03 eV |
| E-fermi |
-5.096 eV |
| Vacuum level |
1.945 eV |
| VBM |
-5.116 eV |
| CBM |
-5.082 eV |
| Work function |
7.041 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.03 eV |
| E-fermi |
-5.096 eV |
| Vacuum level |
1.945 eV |
| VBM |
-5.116 eV |
| CBM |
-5.082 eV |
| Work function |
7.041 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
147.792 |
40.290 |
0.000 |
| yy |
40.290 |
136.069 |
0.000 |
| xy |
0.000 |
0.000 |
65.432 |
| Phonon mode at Γ point (THz) |
| Property |
Value |
| from where |
c2db-1766 |
