Co1O2
MatHub2d-538-Co1O2
| Property |
Value |
| Space group |
(187, 'P-6m2') |
| Crystal system |
hexagonal |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-14.464 |
| Free energy / atom (eV) |
-4.821 |
Lattice Parameters (basic)
| a, b, c (Å): | 2.729 | 2.729 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 2.935 | 2.935 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-6.133 eV |
| Vacuum level |
1.465 eV |
| VBM |
-6.135 eV |
| CBM |
-6.131 eV |
| Work function |
7.598 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-6.133 eV |
| Vacuum level |
1.465 eV |
| VBM |
-6.135 eV |
| CBM |
-6.131 eV |
| Work function |
7.598 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
76.054 |
32.967 |
-0.000 |
| yy |
32.967 |
76.054 |
-0.000 |
| xy |
-0.000 |
-0.000 |
21.543 |
| Phonon mode at Γ point (THz) |
| -7.858 |
| -7.858 |
| -4.176 |
| -4.176 |
| -0.002 |
| 0.036 |
| 0.036 |
| 10.896 |
| 17.607 |
| Property |
Value |
| from where |
c2db-455 |
