• Formula : Sr3Fe2(OF)4
  • Space Group : F222 (22)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 5.6615
    b = 5.554
    c = 21.3249
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 13
    Total number of electrons per primitive cell = 98
  • Band gap = 0.0 eV
    Direct Gap = 0.003 eV
    Metallicity = 0.970
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 262347

Band structure with spin-orbit coupling