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Formula : Ni(BW)
2
Space Group :
Immm (71)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 7.077
b = 4.559
c = 3.186
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 5
Total number of electrons per primitive cell = 72
Band gap = 0.0 eV
Direct Gap = 0.116 eV
Metallicity = 0.039
Topological Z2 indices ν = (1;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 615069
Band structure with spin-orbit coupling