• Formula : Cr2Se3
  • Space Group : R-3 (148)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.25
    b = 6.25
    c = 17.28
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 92
  • Band gap = 0.0 eV
    Direct Gap = 0.013 eV
    Metallicity = 0.360
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Magnetic structure of rhombohedral Cr2 Se3,
    Journal of the Physical Society of Japan 63, 1548 (1994)

Band structure with spin-orbit coupling