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Formula : Zn
6
Mo
Space Group :
Fm-3m (225)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 7.7516
b = 7.7516
c = 7.7516
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 7
Total number of electrons per primitive cell = 86
Band gap = 0.0 eV
Direct Gap = 0.000 eV
Metallicity = 0.535
Topological Z2 indices ν = (1;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 260686
Band structure with spin-orbit coupling