• Formula : FeAsO4
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.56
    b = 8.081
    c = 5.012
    α = 90.0
    β = 104.42
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 148
  • Band gap = 0.0 eV
    Direct Gap = 0.013 eV
    Metallicity = 0.161
    Topological Z2 indices ν = (0;010)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 73978

Band structure with spin-orbit coupling