Cl2Cu1
MatHub2d-402-Cl2Cu1
| Property |
Value |
| Space group |
(187, 'P-6m2') |
| Crystal system |
hexagonal |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-6.877 |
| Free energy / atom (eV) |
-2.292 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.411 | 3.411 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.401 | 3.401 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-5.075 eV |
| Vacuum level |
2.009 eV |
| VBM |
-5.075 eV |
| CBM |
-5.075 eV |
| Work function |
7.085 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-5.075 eV |
| Vacuum level |
2.009 eV |
| VBM |
-5.075 eV |
| CBM |
-5.075 eV |
| Work function |
7.085 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
41.752 |
23.302 |
-0.000 |
| yy |
23.302 |
41.752 |
-0.000 |
| xy |
-0.000 |
-0.000 |
9.225 |
| Phonon mode at Γ point (THz) |
| -4.380 |
| -4.380 |
| -2.039 |
| -2.039 |
| -0.009 |
| -0.001 |
| -0.001 |
| 6.238 |
| 7.607 |
| Property |
Value |
| from where |
c2db-993 |
