Br2Ca2Cu1O2

MatHub3d-17280-Br2Ca2Cu1O2

Basic properties

Property Value
Space group (139, "'I4/mmm'")
Magnetic True
Magnetic moment (μB) 0.35
Band gap (PBE) (eV) 0
Total energy (eV) -32.866
Total energy / atom (eV) -4.695

Lattice Parameters(from the source)

a, b, c (Å): 3.880 3.880 17.260
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 9.440 9.440 9.440
α, β, γ(°): 156.0 156.0 34.0

Density of States (DOS)







Electronic band structure (PBE)

Br2Ca2Cu1O2
  
Property Value
Band gap 0 eV
Band degeneracy(CBM) 0.00

Data source

Property Value
Source icsd-1028-Br2Ca2Cu1O2