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Formula : Sr
Space Group :
P4/mmm (123)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 6.961
b = 6.961
c = 2.82
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 1
Total number of electrons per primitive cell = 10
Band gap = 0.0 eV
Direct Gap = 0.001 eV
Metallicity = 0.587
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 109027
Band structure with spin-orbit coupling