Sn1Te1
MatHub2d-1903-Sn1Te1
| Property |
Value |
| Space group |
(123, 'P4/mmm') |
| Crystal system |
square |
| Magnetic |
|
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-6.702 |
| Free energy / atom (eV) |
-3.351 |
Lattice Parameters (basic)
| a, b, c (Å): | 4.363 | 4.363 | 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 |
-2.943 eV |
| Vacuum level |
1.212 eV |
| VBM |
-2.944 eV |
| CBM |
-2.942 eV |
| Work function |
4.155 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.943 eV |
| Vacuum level |
1.212 eV |
| VBM |
-2.944 eV |
| CBM |
-2.942 eV |
| Work function |
4.155 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
28.204 |
22.845 |
0.000 |
| yy |
22.845 |
28.204 |
0.000 |
| xy |
0.000 |
0.000 |
13.123 |
| Phonon mode at Γ point (THz) |
| -2.084 |
| -1.523 |
| -1.523 |
| 0.004 |
| 0.016 |
| 0.016 |
| Property |
Value |
| from where |
c2db-1514 |
