• Formula : K2NiF4
  • Space Group : I4/mmm (139)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.006
    b = 4.006
    c = 13.076
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 7
    Total number of electrons per primitive cell = 56
  • Band gap = 0.0 eV
    Direct Gap = 0.011 eV
    Metallicity = 0.712
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Struktur des Kaliumnickelfluorids, K2 Ni F4,
    Zeitschrift fuer Elektrochemie 59, 545 (1955)

Band structure with spin-orbit coupling