• Formula : MgF2
  • Space Group : Cm2m (38)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 3.551
    b = 3.155
    c = 5.54
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 3
    Total number of electrons per primitive cell = 24
  • Band gap = 0.86 eV
    Direct Gap = 0.994 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 51242

Band structure with spin-orbit coupling