O6Ru2
MatHub2d-1648-O6Ru2
| Property |
Value |
| Space group |
(11, 'P2_1/m') |
| Crystal system |
rectangular |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.06 |
| Free energy (eV) |
-44.841 |
| Free energy / atom (eV) |
-5.605 |
Lattice Parameters (basic)
| a, b, c (Å): | 5.722 | 2.591 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 5.670 | 2.605 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.06 eV |
| E-fermi |
-5.188 eV |
| Vacuum level |
2.145 eV |
| VBM |
-5.212 eV |
| CBM |
-5.155 eV |
| Work function |
7.332 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.06 eV |
| E-fermi |
-5.188 eV |
| Vacuum level |
2.145 eV |
| VBM |
-5.212 eV |
| CBM |
-5.155 eV |
| Work function |
7.332 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
6.529 |
2.061 |
0.000 |
| yy |
2.061 |
253.180 |
0.000 |
| xy |
0.000 |
0.000 |
1.083 |
| Phonon mode at Γ point (THz) |
| -0.689 |
| -0.072 |
| -0.054 |
| -0.021 |
| 2.291 |
| 5.810 |
| 6.005 |
| 6.501 |
| 7.368 |
| 8.376 |
| 10.907 |
| 11.404 |
| 12.629 |
| 12.655 |
| 13.157 |
| 13.822 |
| 14.175 |
| 14.772 |
| 14.780 |
| 17.757 |
| 20.049 |
| 20.432 |
| 21.570 |
| 21.706 |
| Property |
Value |
| from where |
c2db-1787 |
