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Formula : InBrO
Space Group :
Pmmn (59)
Centrosymmetric : True
Dimensionality : 2D
Structure parameters
a = 4.049
b = 3.611
c = 8.649
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 6
Total number of electrons per primitive cell = 52
Band gap = 2.2656 eV
Direct Gap = 2.325 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 24059
Band structure with spin-orbit coupling