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
Ge1S1
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
Ge1S1
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