O2Ru2
MatHub2d-1836-O2Ru2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-20.770 |
| Free energy / atom (eV) |
-5.192 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.603 | 3.603 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.595 | 3.595 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.212 eV |
| Vacuum level |
1.652 eV |
| VBM |
-3.213 eV |
| CBM |
-3.211 eV |
| Work function |
4.864 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.212 eV |
| Vacuum level |
1.652 eV |
| VBM |
-3.213 eV |
| CBM |
-3.211 eV |
| Work function |
4.864 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
22.270 |
167.706 |
0.000 |
| yy |
167.706 |
22.270 |
0.000 |
| xy |
0.000 |
0.000 |
67.688 |
| Phonon mode at Γ point (THz) |
| -0.021 |
| -0.021 |
| -0.009 |
| 3.258 |
| 4.056 |
| 4.056 |
| 4.283 |
| 4.283 |
| 7.990 |
| 7.990 |
| 14.026 |
| 15.078 |
| Property |
Value |
| from where |
c2db-806 |
