• Formula : NaMgSO4F
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.66958
    b = 8.58747
    c = 7.05209
    α = 90.0
    β = 114.09
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 112
  • Band gap = 5.6507 eV
    Direct Gap = 5.651 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 262272

Band structure with spin-orbit coupling