• Formula : Cr(Mo3Se4)2
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.75
    b = 6.75
    c = 6.7
    α = 92.33
    β = 98.03
    γ = 94.28
  • Number of atoms per primitive cell = 15
    Total number of electrons per primitive cell = 146
  • Band gap = 0.0 eV
    Direct Gap = 0.025 eV
    Metallicity = 0.139
    Topological Z2 indices ν = (0;111)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 626324

Band structure with spin-orbit coupling