• Formula : KFeSe2
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.342
    b = 11.746
    c = 5.629
    α = 90.0
    β = 113.52
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 58
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.500
    Topological Z2 indices ν = (1;101)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 40780

Band structure with spin-orbit coupling