• Formula : Y2Si4Mo3
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.901
    b = 6.907
    c = 6.748
    α = 90.0
    β = 124.88
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 160
  • Band gap = 0.0 eV
    Direct Gap = 0.164 eV
    Metallicity = 0.131
    Topological Z2 indices ν = (1;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 76379

Band structure with spin-orbit coupling