Ca2Cl2Cu1O2

MatHub3d-25012-Ca2Cl2Cu1O2

Basic properties

Property Value
Space group (139, "'I4/mmm'")
Magnetic True
Magnetic moment (μB) 0.58
Band gap (PBE) (eV) 0
Total energy (eV) -34.131
Total energy / atom (eV) -4.876

Lattice Parameters(from the source)

a, b, c (Å): 3.870 3.870 14.970
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 8.190 8.190 8.190
α, β, γ(°): 153.0 153.0 39.0

Density of States (DOS)







Electronic band structure (PBE)

Ca2Cl2Cu1O2
  
Property Value
Band gap 0 eV
Band degeneracy(CBM) 0.00

Data source

Property Value
Source icsd-1027-Ca2Cl2Cu1O2