• Formula : Ca2InN
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 3.532
    b = 20.204
    c = 4.969
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 76
  • Band gap = 0.0 eV
    Direct Gap = 0.119 eV
    Metallicity = 0.326
    Topological Z2 indices ν = (0;110)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The synthesis and structure of Ca2 In N, a novel ternary indium nitride,
    Journal of Alloys Compd. 353, 146 (2003)

Band structure with spin-orbit coupling