S2Sc2
MatHub2d-1877-S2Sc2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
|
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-23.664 |
| Free energy / atom (eV) |
-5.916 |
Lattice Parameters (basic)
| a, b, c (Å): | 4.578 | 4.578 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 4.640 | 4.640 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.108 eV |
| Vacuum level |
1.232 eV |
| VBM |
-2.108 eV |
| CBM |
-2.106 eV |
| Work function |
3.340 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.108 eV |
| Vacuum level |
1.232 eV |
| VBM |
-2.108 eV |
| CBM |
-2.106 eV |
| Work function |
3.340 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
30.569 |
24.442 |
0.000 |
| yy |
24.442 |
30.569 |
0.000 |
| xy |
0.000 |
0.000 |
13.696 |
| Phonon mode at Γ point (THz) |
| -0.005 |
| -0.005 |
| -0.003 |
| 4.506 |
| 5.738 |
| 5.738 |
| 6.106 |
| 7.159 |
| 9.759 |
| 9.759 |
| 9.868 |
| 9.868 |
| Property |
Value |
| from where |
c2db-811 |
