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Formula : VPO
4
F
Space Group :
C2/c (15)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 7.1553
b = 7.1014
c = 7.116
α = 90.0
β = 118.089
γ = 90.0
Number of atoms per primitive cell = 14
Total number of electrons per primitive cell = 98
Band gap = 0.0 eV
Direct Gap = 0.000 eV
Metallicity = 0.779
Topological Z2 indices ν = (1;100)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 183878
Band structure with spin-orbit coupling