• Formula : BaSr(FeO2)4
  • Space Group : P-31m (162)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 5.45
    b = 5.45
    c = 8.101
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 100
  • Band gap = 0.0 eV
    Direct Gap = 0.017 eV
    Metallicity = 0.796
    Topological Z2 indices ν = (0;001)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 1838

Band structure with spin-orbit coupling