• Formula : YAsSe
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.926
    b = 17.292
    c = 5.527
    α = 90.0
    β = 135.23
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 88
  • Band gap = 0.0 eV
    Direct Gap = 0.067 eV
    Metallicity = 0.005
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 611398

Band structure with spin-orbit coupling