• Formula : CaIn4Ni
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.401
    b = 16.549
    c = 7.294
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 144
  • Band gap = 0.0 eV
    Direct Gap = 0.004 eV
    Metallicity = 0.793
    Topological Z2 indices ν = (1;110)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    New ternary compounds of indium with calcium (europium) and copper (nickel),
    Kristallografiya 38, 271 (1993)

Band structure with spin-orbit coupling