Ni5Th1

MatHub3d-67843-Ni5Th1

Basic properties

Property Value
Space group (191, "'P6/mmm'")
Magnetic True
Magnetic moment (μB) 1.29
Band gap (PBE) (eV) 0
Total energy (eV) -21.563
Total energy / atom (eV) -3.594

Lattice Parameters(from the source)

a, b, c (Å): 4.910 4.910 3.980
α, β, γ(°): 90.0 90.0 120.0

Lattice Parameters(computed)

a, b, c (Å): 4.860 4.860 3.950
α, β, γ(°): 90.0 90.0 120.0

Density of States (DOS)







Electronic band structure (PBE)

Ni5Th1
  
Property Value
Band gap 0 eV
Band degeneracy(CBM) 0.00

Data source

Property Value
Source icsd-105408-Ni5Th1