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Formula : FeBiO
3
Space Group :
R3c (161)
Centrosymmetric : False
Dimensionality : 3D
Structure parameters
a = 5.5733
b = 5.5733
c = 13.84238
α = 90.0
β = 90.0
γ = 120.0
Number of atoms per primitive cell = 10
Total number of electrons per primitive cell = 62
Band gap = 0.0 eV
Direct Gap = 0.001 eV
Metallicity = 0.519
Topological Z2 indices ν = ?
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 180495
Band structure with spin-orbit coupling