Co1O1
MatHub2d-1758-Co1O1
| Property |
Value |
| Space group |
(123, 'P4/mmm') |
| Crystal system |
square |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-10.032 |
| Free energy / atom (eV) |
-5.016 |
Lattice Parameters (basic)
| a, b, c (Å): | 2.732 | 2.732 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 2.782 | 2.782 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.832 eV |
| Vacuum level |
1.258 eV |
| VBM |
-2.835 eV |
| CBM |
-2.828 eV |
| Work function |
4.090 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.832 eV |
| Vacuum level |
1.258 eV |
| VBM |
-2.835 eV |
| CBM |
-2.828 eV |
| Work function |
4.090 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
87.652 |
55.220 |
0.000 |
| yy |
55.220 |
87.652 |
0.000 |
| xy |
0.000 |
0.000 |
9.742 |
| Phonon mode at Γ point (THz) |
| -0.007 |
| -0.003 |
| -0.003 |
| 3.238 |
| 3.238 |
| 6.962 |
| Property |
Value |
| from where |
c2db-736 |
