• Formula : BaIn4Ir
  • Space Group : Pmma (51)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.642
    b = 4.3958
    c = 7.9064
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 158
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.878
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    BaIrIn4 and Ba2Ir4In13: Two In-Rich Polar Intermetallic Structures with Different Augmented Prismatic Environments about the Cations,
    Inorganic Chemistry 47, 9344 (2008)

Band structure with spin-orbit coupling