Ca1Fe2P2

MatHub3d-24807-Ca1Fe2P2

Basic properties

Property Value
Space group (139, "'I4/mmm'")
Magnetic False
Band gap (PBE) (eV) 0
Total energy (eV) -23.736
Total energy / atom (eV) -4.747

Lattice Parameters(from the source)

a, b, c (Å): 3.850 3.850 9.980
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 5.580 5.580 5.580
α, β, γ(°): 140.0 140.0 58.0

Energy and volume

Ca1Fe2P2
.
Property Value
Bulk-modulus 151.085 GPa

Density of States (DOS)







Electronic band structure (PBE)

Ca1Fe2P2
  
Property Value
Band gap 0 eV
Band degeneracy(CBM) 0.00

Data source

Property Value
Source icsd-10463-Ca1Fe2P2