In1S1
MatHub2d-1798-In1S1
| Property |
Value |
| Space group |
(123, 'P4/mmm') |
| Crystal system |
square |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-6.986 |
| Free energy / atom (eV) |
-3.493 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.827 | 3.827 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.810 | 3.810 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.457 eV |
| Vacuum level |
1.055 eV |
| VBM |
-3.459 eV |
| CBM |
-3.430 eV |
| Work function |
4.512 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.457 eV |
| Vacuum level |
1.055 eV |
| VBM |
-3.459 eV |
| CBM |
-3.430 eV |
| Work function |
4.512 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
51.164 |
25.521 |
0.000 |
| yy |
25.521 |
51.164 |
0.000 |
| xy |
0.000 |
0.000 |
10.974 |
| Phonon mode at Γ point (THz) |
| -0.011 |
| -0.010 |
| -0.010 |
| 3.262 |
| 5.217 |
| 5.217 |
| Property |
Value |
| from where |
c2db-1497 |
