• Formula : InF3
  • Space Group : R-3c (167)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.709
    b = 7.709
    c = 7.709
    α = 35.45
    β = 35.45
    γ = 35.45
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 68
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.075
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Zur Kristallstruktur von Indium- und Thalliumtrifluorid,
    Naturwissenschaften 53, 104 (1966)

Band structure with spin-orbit coupling