S1Sb1
MatHub2d-1873-S1Sb1
| Property |
Value |
| Space group |
(123, 'P4/mmm') |
| Crystal system |
square |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-7.752 |
| Free energy / atom (eV) |
-3.876 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.813 | 3.813 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.821 | 3.821 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.405 eV |
| Vacuum level |
1.202 eV |
| VBM |
-3.405 eV |
| CBM |
-3.402 eV |
| Work function |
4.608 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.405 eV |
| Vacuum level |
1.202 eV |
| VBM |
-3.405 eV |
| CBM |
-3.402 eV |
| Work function |
4.608 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
53.483 |
35.423 |
0.000 |
| yy |
35.423 |
53.483 |
0.000 |
| xy |
0.000 |
0.000 |
23.718 |
| Phonon mode at Γ point (THz) |
| -4.464 |
| -4.464 |
| -1.558 |
| 0.003 |
| 0.003 |
| 0.005 |
| Property |
Value |
| from where |
c2db-1503 |
