F2Ge2

MatHub2d-584-F2Ge2

Property Value
Space group (164, 'P-3m1')
Crystal system hexagonal
Magnetic No
Band gap (PBE) (eV) 0.00
Free energy (eV) -18.080
Free energy / atom (eV) -4.520

Lattice Parameters (basic)

a, b, c (Å): 4.250 4.250 30.000
α, β, γ (°): 90.000 90.000 120.000

Lattice Parameters (computed)

a, b, c (Å): 4.242 4.242 30.000
α, β, γ (°): 90.000 90.000 120.000
F2Ge2
Property Value
Band gap 0.00 eV
E-fermi -5.634 eV
Vacuum level 1.369 eV
VBM -5.665 eV
CBM -5.624 eV
Work function 7.003 eV
Direct gap No
F2Ge2
Property Value
Band gap 0.00 eV
E-fermi -5.634 eV
Vacuum level 1.369 eV
VBM -5.665 eV
CBM -5.624 eV
Work function 7.003 eV
Cij (N/m) xx yy xy
xx 34.411 7.750 0.000
yy 7.750 34.411 -0.000
xy 0.000 -0.000 13.330
Phonon mode at Γ point (THz)
-0.059
-0.059
-0.013
2.273
2.273
3.437
3.437
5.139
8.648
8.648
19.230
19.670

Property Value
from where c2db-1963