C1Ti2
MatHub2d-318-C1Ti2
| Property |
Value |
| Space group |
(164, 'P-3m1') |
| Crystal system |
hexagonal |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-18.318 |
| Free energy / atom (eV) |
-6.106 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.057 | 3.057 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.115 | 3.115 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-0.920 eV |
| Vacuum level |
1.857 eV |
| VBM |
-0.920 eV |
| CBM |
-0.920 eV |
| Work function |
2.777 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-0.920 eV |
| Vacuum level |
1.857 eV |
| VBM |
-0.920 eV |
| CBM |
-0.920 eV |
| Work function |
2.777 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
117.794 |
23.415 |
-0.000 |
| yy |
23.415 |
117.794 |
-0.000 |
| xy |
-0.000 |
-0.000 |
47.190 |
| Phonon mode at Γ point (THz) |
| -0.002 |
| -0.002 |
| -0.002 |
| 6.286 |
| 6.286 |
| 8.959 |
| 13.370 |
| 17.304 |
| 17.304 |
| Property |
Value |
| from where |
c2db-1392 |
