• Formula : Si3MoPt2
  • Space Group : Pm2_1b (26)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 3.48438
    b = 9.15112
    c = 5.48253
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 92
  • Band gap = 0.0 eV
    Direct Gap = 0.007 eV
    Metallicity = 0.557
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 174199

Band structure with spin-orbit coupling