• Formula : Sn5(BRh3)2
  • Space Group : P-62m (189)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 6.548
    b = 6.548
    c = 5.5732
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 13
    Total number of electrons per primitive cell = 178
  • Band gap = 0.0 eV
    Direct Gap = 0.003 eV
    Metallicity = 0.569
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 77352

Band structure with spin-orbit coupling