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Formula : Mg
3
Ga
7
Co
2
Space Group :
C2/c (15)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 9.0873
b = 9.4598
c = 9.4316
α = 90.0
β = 93.6
γ = 90.0
Number of atoms per primitive cell = 24
Total number of electrons per primitive cell = 310
Band gap = 0.0 eV
Direct Gap = 0.000 eV
Metallicity = 0.696
Topological Z2 indices ν = (0;101)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 157364
Band structure with spin-orbit coupling