• Formula : KMnF3
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.3281
    b = 8.3392
    c = 8.3695
    α = 90.0
    β = 89.72
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 180
  • Band gap = 0.0 eV
    Direct Gap = 0.006 eV
    Metallicity = 0.776
    Topological Z2 indices ν = (0;011)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 89343

Band structure with spin-orbit coupling