Ba1Mn2O3

MatHub3d-12105-Ba1Mn2O3

Basic properties

Property Value
Space group (71, "'Immm'")
Magnetic True
Magnetic moment (μB) 10.00
Band gap (PBE) (eV) 0.20
Total energy (eV) -42.910
Total energy / atom (eV) -7.152

Lattice Parameters(from the source)

a, b, c (Å): 3.550 4.380 10.970
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 6.290 6.290 6.290
α, β, γ(°): 146.0 139.0 54.0

Deformation Potential

n_type (eV): -0.752
p_type (eV): -1.235

Energy and volume

Ba1Mn2O3
.
Property Value
Bulk-modulus 102.908 GPa

Density of States (DOS)







Electronic band structure (PBE)

Ba1Mn2O3
  
Property Value
Band gap 0.20 eV
Band degeneracy(CBM) 0.00

Data source

Property Value
Source icsd-10038-Ba1Mn2O3