• Formula : CsMnF4
  • Space Group : P4/nmm (129)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.944
    b = 7.944
    c = 6.3376
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 208
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.436
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal and Magnetic Structure of the Planar Ferromagnet Cs Mn F4,
    Journal of Solid State Chemistry 32, 137 (1980)

Band structure with spin-orbit coupling