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Formula : Fe
2
Ge
Space Group :
P6/mmm (191)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 4.036
b = 4.036
c = 5.03
α = 90.0
β = 90.0
γ = 120.0
Number of atoms per primitive cell = 3
Total number of electrons per primitive cell = 20
Band gap = 0.0 eV
Direct Gap = 0.002 eV
Metallicity = 0.572
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 108442
Band structure with spin-orbit coupling