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Formula : SrLiN
Space Group :
P4_2/mmc (131)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 3.924
b = 3.924
c = 7.085
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 6
Total number of electrons per primitive cell = 36
Band gap = 0.2644 eV
Direct Gap = 0.825 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 87414
Band structure with spin-orbit coupling