O2Os2
MatHub2d-1830-O2Os2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-23.538 |
| Free energy / atom (eV) |
-5.885 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.614 | 3.614 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.603 | 3.603 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.656 eV |
| Vacuum level |
1.455 eV |
| VBM |
-3.658 eV |
| CBM |
-3.653 eV |
| Work function |
5.111 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.656 eV |
| Vacuum level |
1.455 eV |
| VBM |
-3.658 eV |
| CBM |
-3.653 eV |
| Work function |
5.111 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
98.547 |
184.434 |
0.000 |
| yy |
184.434 |
98.547 |
0.000 |
| xy |
0.000 |
0.000 |
56.334 |
| Phonon mode at Γ point (THz) |
| -6.163 |
| -6.163 |
| -3.322 |
| -3.322 |
| -0.001 |
| -0.001 |
| 0.001 |
| 3.179 |
| 3.179 |
| 3.965 |
| 15.516 |
| 16.310 |
| Property |
Value |
| from where |
c2db-785 |
