Ac1Rb1Te2

MatHub3d-60-Ac1Rb1Te2

Basic properties

Property Value
Space group (225, "'Fm-3m'")
Magnetic False
Band gap (PBE) (eV) 0.90
Total energy (eV) -16.290
Total energy / atom (eV) -4.072

Lattice Parameters(conventional cell, from the source)

a, b, c (Å): 8.330 8.330 8.330
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(conventional cell, relaxed)

a, b, c (Å): 8.330 8.330 8.330
α, β, γ(°): 90.0 90.0 90.0

Deformation Potential

n_type (eV): 3.509
p_type (eV): 2.907

Energy and volume

Ac1Rb1Te2
.
Property Value
Bulk-modulus 34.944 GPa

Density of States (DOS)







Electronic band structure (PBE)

Ac1Rb1Te2
  
Property Value
Band gap 0.90 eV
Band degeneracy(CBM) 3.00
Band degeneracy(VBM) 3.00

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 -3.8909
Eband_CBM -2.06782

Data source

Property Value
Source mp-862797-Ac1Rb1Te2