Ni4Sc2

MatHub3d-67785-Ni4Sc2

Basic properties

Property Value
Space group (227, "'Fd-3m'")
Magnetic False
Band gap (PBE) (eV) 0
Total energy (eV) -21.965
Total energy / atom (eV) -3.661

Lattice Parameters(from the source)

a, b, c (Å): 6.930 6.930 6.930
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 4.870 4.870 4.870
α, β, γ(°): 60.0 60.0 60.0

Energy and volume

Ni4Sc2
.
Property Value
Bulk-modulus 134.043 GPa

Density of States (DOS)







Electronic band structure (PBE)

Ni4Sc2
  
Property Value
Band gap 0 eV
Band degeneracy(CBM) 0.00

Data source

Property Value
Source icsd-105335-Ni4Sc2