C1Ho2
MatHub2d-299-C1Ho2
| Property |
Value |
| Space group |
(164, 'P-3m1') |
| Crystal system |
hexagonal |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-17.930 |
| Free energy / atom (eV) |
-5.977 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.483 | 3.483 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.504 | 3.504 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.690 eV |
| Vacuum level |
1.821 eV |
| VBM |
-1.693 eV |
| CBM |
-1.690 eV |
| Work function |
3.511 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.690 eV |
| Vacuum level |
1.821 eV |
| VBM |
-1.693 eV |
| CBM |
-1.690 eV |
| Work function |
3.511 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
88.032 |
18.102 |
-0.000 |
| yy |
18.102 |
88.032 |
-0.000 |
| xy |
-0.000 |
-0.000 |
34.965 |
| Phonon mode at Γ point (THz) |
| -0.003 |
| -0.001 |
| -0.001 |
| 2.850 |
| 2.850 |
| 4.529 |
| 7.201 |
| 11.767 |
| 11.767 |
| Property |
Value |
| from where |
JVASP-27872 |
