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Formula : FeHgC
4
(SN)
4
Space Group :
I-4 (82)
Centrosymmetric : False
Dimensionality : 3D
Structure parameters
a = 11.244
b = 11.244
c = 4.289
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 14
Total number of electrons per primitive cell = 80
Band gap = 0.0 eV
Direct Gap = 0.005 eV
Metallicity = 0.899
Topological Z2 indices ν = ?
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 87888
Band structure with spin-orbit coupling