Ge1O1
MatHub2d-626-Ge1O1
Property |
Value |
Space group |
(156, 'P3m1') |
Crystal system |
hexagonal |
Magnetic |
No |
Band gap (PBE) (eV) |
2.12 |
Free energy (eV) |
-11.237 |
Free energy / atom (eV) |
-5.618 |
Lattice Parameters (basic)
a, b, c (Å): | 3.011 | 3.011 | 30.000 |
α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Lattice Parameters (computed)
a, b, c (Å): | 3.015 | 3.015 | 30.000 |
α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Property |
Value |
Band gap |
2.12 eV |
E-fermi |
-5.113 eV |
Vacuum level |
2.009 eV |
VBM |
-5.323 eV |
CBM |
-3.205 eV |
Work function |
7.121 eV |
Direct gap |
No |
Property |
Value |
Band gap |
2.11 eV |
E-fermi |
-5.008 eV |
VBM |
-5.253 eV |
CBM |
-3.140 eV |
Free energy (eV) |
-11.243 |
Free energy / atom (eV) |
-5.622 |
Property |
Value |
Band gap |
2.12 eV |
E-fermi |
-5.113 eV |
Vacuum level |
2.009 eV |
VBM |
-5.323 eV |
CBM |
-3.205 eV |
Work function |
7.121 eV |
Cij (N/m) |
xx |
yy |
xy |
xx |
50.984 |
16.860 |
-0.000 |
yy |
16.860 |
50.984 |
0.000 |
xy |
-0.000 |
0.000 |
17.062 |
Phonon mode at Γ point (THz) |
-0.018 |
-0.013 |
-0.013 |
9.056 |
9.056 |
16.533 |
Property |
Value |
from where |
c2db-690 |