In1N1
MatHub2d-794-In1N1
Property |
Value |
Space group |
(187, 'P-6m2') |
Crystal system |
hexagonal |
Magnetic |
No |
Band gap (PBE) (eV) |
0.69 |
Free energy (eV) |
-9.870 |
Free energy / atom (eV) |
-4.935 |
Lattice Parameters (basic)
a, b, c (Å): | 3.575 | 3.575 | 30.000 |
α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Lattice Parameters (computed)
a, b, c (Å): | 3.564 | 3.564 | 30.000 |
α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Property |
Value |
Band gap |
0.69 eV |
E-fermi |
-3.569 eV |
Vacuum level |
1.008 eV |
VBM |
-3.813 eV |
CBM |
-3.124 eV |
Work function |
4.577 eV |
Direct gap |
No |
Property |
Value |
Band gap |
0.69 eV |
E-fermi |
-3.555 eV |
VBM |
-3.848 eV |
CBM |
-3.162 eV |
Free energy (eV) |
-9.903 |
Free energy / atom (eV) |
-4.951 |
Property |
Value |
Band gap |
0.69 eV |
E-fermi |
-3.569 eV |
Vacuum level |
1.008 eV |
VBM |
-3.813 eV |
CBM |
-3.124 eV |
Work function |
4.577 eV |
Cij (N/m) |
xx |
yy |
xy |
xx |
98.123 |
58.412 |
-0.000 |
yy |
58.412 |
98.123 |
0.000 |
xy |
-0.000 |
0.000 |
19.855 |
Phonon mode at Γ point (THz) |
-0.009 |
0.001 |
0.001 |
4.783 |
17.698 |
17.698 |
Property |
Value |
from where |
c2db-686 |