• Formula : Sr2LiSiO4F
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.5825
    b = 5.4158
    c = 6.9266
    α = 90.0
    β = 112.525
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 116
  • Band gap = 4.9851 eV
    Direct Gap = 5.080 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 79805

Band structure with spin-orbit coupling