Ge1S1
MatHub2d-1779-Ge1S1
Property |
Value |
Space group |
(123, 'P4/mmm') |
Crystal system |
square |
Magnetic |
|
Band gap (PBE) (eV) |
0.00 |
Free energy (eV) |
-8.241 |
Free energy / atom (eV) |
-4.120 |
Lattice Parameters (basic)
a, b, c (Å): | 3.662 | 3.662 | 30.000 |
α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
a, b, c (Å): | 3.662 | 3.662 | 30.000 |
α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Property |
Value |
Band gap |
0.00 eV |
E-fermi |
-3.252 eV |
Vacuum level |
0.571 eV |
VBM |
-3.252 eV |
CBM |
-3.244 eV |
Work function |
3.823 eV |
Direct gap |
No |
Property |
Value |
Band gap |
0.00 eV |
E-fermi |
-3.252 eV |
Vacuum level |
0.571 eV |
VBM |
-3.252 eV |
CBM |
-3.244 eV |
Work function |
3.823 eV |
Cij (N/m) |
xx |
yy |
xy |
xx |
36.026 |
29.201 |
-0.000 |
yy |
29.201 |
36.026 |
0.000 |
xy |
-0.000 |
0.000 |
21.113 |
Phonon mode at Γ point (THz) |
-5.817 |
-5.817 |
-5.402 |
0.030 |
0.035 |
0.035 |
Property |
Value |
from where |
c2db-1493 |