• Formula : BaSr(FeO2)4
  • Space Group : P-6m2 (187)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 5.448
    b = 5.448
    c = 8.091
    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 = 0.000 eV
    Metallicity = 0.839
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 2536

Band structure with spin-orbit coupling