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Formula : Zr
2
InPd
2
Space Group :
P4_2/mnm (136)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 7.46
b = 7.46
c = 6.861
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 20
Total number of electrons per primitive cell = 228
Band gap = 0.0 eV
Direct Gap = 0.004 eV
Metallicity = 0.549
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 404888
Band structure with spin-orbit coupling