Ac1In1Te2
MatHub3d-39-Ac1In1Te2
| Property | Value |
|---|---|
| Space group | (225, "'Fm-3m'") |
| Magnetic | FALSE |
| Band gap (PBE) (eV) | 0.38 |
| Total energy (eV) | -16.747 |
| Total energy / atom (eV) | -4.187 |
| a, b, c (Å): | 5.720 | 5.720 | 5.720 |
| α, β, γ(°): | 60.0 | 60.0 | 60.0 |
| a, b, c (Å): | 5.730 | 5.730 | 5.730 | ||
| α, β, γ(°): | 60.0 | 60.0 | 60.0 |
| n_type (eV): | 3.116 |
| p_type (eV): | 1.550 |
Ac1In1Te2
| Property | Value |
|---|---|
| Bulk-modulus | 42.115 GPa |
Ac1In1Te2
| LDAUL | -1 2 -1 | LDAUU | 0 1.9 0 | LDAUJ | 0 0 0 |
| Property | Value |
|---|---|
| Band gap | 0.38 eV |
| Band degeneracy(CBM) | 6.00 |
| Band degeneracy(VBM) | 4.00 |
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)
| Eband_VBM | -3.77797 |
| Eband_CBM | -1.55379 |
| Property | Value |
|---|---|
| Source | mp-867112-Ac1In1Te2 |