Ag1Ba2Sb1

MatHub3d-167-Ag1Ba2Sb1

Basic properties

Property Value
Space group (225, "'Fm-3m'")
Magnetic False
Band gap (PBE) (eV) 0.18
Total energy (eV) -11.752
Total energy / atom (eV) -2.938

Lattice Parameters(conventional cell, from the source)

a, b, c (Å): 8.390 8.390 8.390
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(conventional cell, relaxed)

a, b, c (Å): 8.400 8.400 8.400
α, β, γ(°): 90.0 90.0 90.0

Deformation Potential

n_type (eV): 2.261
p_type (eV): 1.383

Energy and volume

Ag1Ba2Sb1
.
Property Value
Bulk-modulus 27.400 GPa

Density of States (DOS)







Electronic band structure (PBE)

Ag1Ba2Sb1
  
Property Value
Band gap 0.18 eV

Electric transport properties

n-type Seebeck coefficient (700K)



p-type Seebeck coefficient (700K)
n-type conductivity (700K)



p-type conductivity (700K)
n-type power factor (700K)



p-type power factor (700K)

Bonding information







Eband_VBM -1.60084
Eband_CBM -4.16317

Data source

Property Value
Source mp-984720-Ag1Ba2Sb1