• Formula : Ba(As3Pt2)2
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.688
    b = 8.333
    c = 11.971
    α = 90.0
    β = 90.81
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 160
  • Band gap = 0.308 eV
    Direct Gap = 0.368 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 62519

Band structure with spin-orbit coupling