Te6Y2
MatHub2d-1910-Te6Y2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-39.149 |
| Free energy / atom (eV) |
-4.894 |
Lattice Parameters (basic)
| a, b, c (Å): | 4.350 | 4.350 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 4.344 | 4.344 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-0.044 eV |
| Vacuum level |
4.521 eV |
| VBM |
-0.045 eV |
| CBM |
-0.043 eV |
| Work function |
4.565 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-0.044 eV |
| Vacuum level |
4.521 eV |
| VBM |
-0.045 eV |
| CBM |
-0.043 eV |
| Work function |
4.565 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
116.985 |
81.005 |
0.000 |
| yy |
81.005 |
116.985 |
0.000 |
| xy |
0.000 |
0.000 |
59.449 |
| Phonon mode at Γ point (THz) |
| -0.000 |
| -0.000 |
| -0.000 |
| 0.771 |
| 0.771 |
| 1.444 |
| 1.444 |
| 1.563 |
| 2.044 |
| 2.044 |
| 2.287 |
| 2.291 |
| 2.822 |
| 3.366 |
| 3.749 |
| 3.749 |
| 3.850 |
| 3.850 |
| 4.316 |
| 4.563 |
| 4.602 |
| 4.602 |
| 4.607 |
| 4.607 |
| Property |
Value |
| from where |
JVASP-13545 |
