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Formula : SrC
2
Space Group :
C2/c (15)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 7.0455
b = 4.4681
c = 7.6836
α = 90.0
β = 107.22
γ = 90.0
Number of atoms per primitive cell = 6
Total number of electrons per primitive cell = 36
Band gap = 2.457 eV
Direct Gap = 2.716 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 91051
Band structure with spin-orbit coupling