• Formula : VCrMoO7
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.5273
    b = 6.582
    c = 7.865
    α = 96.19
    β = 89.87
    γ = 102.01
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 166
  • Band gap = 0.0 eV
    Direct Gap = 0.010 eV
    Metallicity = 0.423
    Topological Z2 indices ν = (0;001)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 408563

Band structure with spin-orbit coupling