• Formula : Ca2FeWO6
  • Space Group : Pmm2 (25)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 7.7051
    b = 5.4242
    c = 5.5108
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 184
  • Band gap = 0.5589 eV
    Direct Gap = 0.594 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 81204

Band structure with spin-orbit coupling