O2V2
MatHub2d-1842-O2V2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-29.540 |
| Free energy / atom (eV) |
-7.385 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.402 | 3.402 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 4.096 | 4.096 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.166 eV |
| Vacuum level |
0.946 eV |
| VBM |
-2.166 eV |
| CBM |
-2.164 eV |
| Work function |
3.112 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.166 eV |
| Vacuum level |
0.946 eV |
| VBM |
-2.166 eV |
| CBM |
-2.164 eV |
| Work function |
3.112 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
111.326 |
41.301 |
0.000 |
| yy |
41.301 |
111.326 |
0.000 |
| xy |
0.000 |
0.000 |
10.589 |
| Phonon mode at Γ point (THz) |
| -6.986 |
| -6.986 |
| -0.017 |
| -0.002 |
| -0.002 |
| 2.770 |
| 5.156 |
| 6.406 |
| 9.740 |
| 9.740 |
| 11.437 |
| 11.437 |
| Property |
Value |
| from where |
c2db-823 |
