Sb1Te1
MatHub2d-1887-Sb1Te1
| Property |
Value |
| Space group |
(123, 'P4/mmm') |
| Crystal system |
square |
| Magnetic |
|
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-6.630 |
| Free energy / atom (eV) |
-3.315 |
Lattice Parameters (basic)
| a, b, c (Å): | 4.235 | 4.235 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 4.246 | 4.246 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.617 eV |
| Vacuum level |
0.228 eV |
| VBM |
-3.620 eV |
| CBM |
-3.616 eV |
| Work function |
3.844 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.617 eV |
| Vacuum level |
0.228 eV |
| VBM |
-3.620 eV |
| CBM |
-3.616 eV |
| Work function |
3.844 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
40.927 |
28.801 |
0.000 |
| yy |
28.801 |
40.927 |
0.000 |
| xy |
0.000 |
0.000 |
20.493 |
| Phonon mode at Γ point (THz) |
| -2.675 |
| -2.675 |
| -1.267 |
| -0.000 |
| 0.002 |
| 0.002 |
| Property |
Value |
| from where |
c2db-1508 |
