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Formula : Cr
2
GaS
4
Space Group :
F-43m (216)
Centrosymmetric : False
Dimensionality : 3D
Structure parameters
a = 9.887
b = 9.887
c = 9.887
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 14
Total number of electrons per primitive cell = 130
Band gap = 0.0 eV
Direct Gap = 0.000 eV
Metallicity = 0.616
Topological Z2 indices ν = ?
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 626049
Band structure with spin-orbit coupling