Co1I2
MatHub2d-534-Co1I2
| Property |
Value |
| Space group |
(187, 'P-6m2') |
| Crystal system |
hexagonal |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-6.955 |
| Free energy / atom (eV) |
-2.318 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.859 | 3.859 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.875 | 3.875 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.385 eV |
| Vacuum level |
2.185 eV |
| VBM |
-3.385 eV |
| CBM |
-3.384 eV |
| Work function |
5.570 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.385 eV |
| Vacuum level |
2.185 eV |
| VBM |
-3.385 eV |
| CBM |
-3.384 eV |
| Work function |
5.570 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
28.509 |
13.069 |
-0.000 |
| yy |
13.069 |
28.509 |
-0.000 |
| xy |
-0.000 |
-0.000 |
7.720 |
| Phonon mode at Γ point (THz) |
| -3.067 |
| -3.067 |
| -1.894 |
| -1.121 |
| -1.121 |
| 0.006 |
| 0.006 |
| 0.006 |
| 2.856 |
| Property |
Value |
| from where |
c2db-988 |
