• Formula : KMnF3
  • Space Group : I4/mcm (140)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.742
    b = 5.742
    c = 8.223
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 90
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.393
    Topological Z2 indices ν = (0;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    High-pressure crystal structures of K Mn F3 below and above the phase transition at Pc=3.1GPa,
    European Journal of Solid State Inorganic Chemistry 31, 747 (1994)

Band structure with spin-orbit coupling