• Formula : Ca5Sn3H
  • Space Group : I4/mcm (140)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.1433
    b = 8.1433
    c = 15.096
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 186
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.470
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 165190

Band structure with spin-orbit coupling