• Formula : ZrSe3
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 5.42
    b = 3.76
    c = 9.5
    α = 90.0
    β = 97.6
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 44
  • Band gap = 0.0 eV
    Direct Gap = 0.033 eV
    Metallicity = 0.529
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 652252

Band structure with spin-orbit coupling