• Formula : MnF3
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.9202
    b = 5.0472
    c = 13.4748
    α = 90.0
    β = 92.64
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 216
  • Band gap = 0.0 eV
    Direct Gap = 0.007 eV
    Metallicity = 0.231
    Topological Z2 indices ν = (1;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 73113

Band structure with spin-orbit coupling