• Formula : Ba(InP)2
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.9652
    b = 4.1789
    c = 12.9834
    α = 90.0
    β = 95.326
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 184
  • Band gap = 0.3999 eV
    Direct Gap = 0.411 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Flux growth and structure of two compounds with the EuIn~2~P~2~ structure type, <i>A</i>In~2~P~2~ (<i>A</i> = Ca and Sr), and a new structure type, BaIn~2~P~2~,
    Acta Crystallographica Section C 65, i69 (2009)

Band structure with spin-orbit coupling