C1Tb2
MatHub2d-317-C1Tb2
| Property |
Value |
| Space group |
(164, 'P-3m1') |
| Crystal system |
hexagonal |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-18.042 |
| Free energy / atom (eV) |
-6.014 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.516 | 3.516 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.538 | 3.538 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.590 eV |
| Vacuum level |
1.395 eV |
| VBM |
-1.591 eV |
| CBM |
-1.589 eV |
| Work function |
2.984 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.590 eV |
| Vacuum level |
1.395 eV |
| VBM |
-1.591 eV |
| CBM |
-1.589 eV |
| Work function |
2.984 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
82.731 |
17.932 |
0.000 |
| yy |
17.932 |
82.731 |
0.000 |
| xy |
0.000 |
0.000 |
32.399 |
| Phonon mode at Γ point (THz) |
| -0.002 |
| -0.001 |
| -0.001 |
| 2.863 |
| 2.863 |
| 4.512 |
| 7.505 |
| 11.719 |
| 11.719 |
| Property |
Value |
| from where |
JVASP-28143 |
