Cl2Sc2

MatHub3d-29021-Cl2Sc2

Basic properties

Property Value
Space group (166, "'R-3m'")
Magnetic True
Magnetic moment (μB) 1.40
Band gap (PBE) (eV) 0
Total energy (eV) -19.552
Total energy / atom (eV) -4.888

Lattice Parameters(from the source)

a, b, c (Å): 3.470 3.470 26.710
α, β, γ(°): 90.0 90.0 120.0

Lattice Parameters(computed)

a, b, c (Å): 9.820 9.820 9.820
α, β, γ(°): 21.0 21.0 21.0

Density of States (DOS)







Electronic band structure (PBE)

Cl2Sc2
  
Property Value
Band gap 0 eV
Band degeneracy(CBM) 0.00

Data source

Property Value
Source icsd-1004-Cl2Sc2