• Formula : FePH2O5
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.708
    b = 7.761
    c = 7.382
    α = 90.0
    β = 115.08
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 90
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.307
    Topological Z2 indices ν = (1;100)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 167029

Band structure with spin-orbit coupling