Se1Sn1
MatHub2d-1891-Se1Sn1
| Property |
Value |
| Space group |
(123, 'P4/mmm') |
| Crystal system |
square |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-7.444 |
| Free energy / atom (eV) |
-3.722 |
Lattice Parameters (basic)
| a, b, c (Å): | 4.108 | 4.108 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 4.074 | 4.074 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.863 eV |
| Vacuum level |
1.018 eV |
| VBM |
-2.863 eV |
| CBM |
-2.862 eV |
| Work function |
3.881 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.863 eV |
| Vacuum level |
1.018 eV |
| VBM |
-2.863 eV |
| CBM |
-2.862 eV |
| Work function |
3.881 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
34.406 |
28.095 |
0.000 |
| yy |
28.095 |
34.406 |
0.000 |
| xy |
0.000 |
0.000 |
20.897 |
| Phonon mode at Γ point (THz) |
| -3.187 |
| -2.082 |
| -2.082 |
| 0.004 |
| 0.019 |
| 0.019 |
| Property |
Value |
| from where |
c2db-1513 |
