• Formula : InBF4
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.173
    b = 5.727
    c = 7.349
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 176
  • Band gap = 4.5108 eV
    Direct Gap = 4.575 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    In B F4, das erste komplexe Fluorid mit Indium(I),
    Zeitschrift fuer Anorganische und Allgemeine Chemie 623, 579 (1997)

Band structure with spin-orbit coupling