As1S3Tl3
MatHub3d-5195-As1S3Tl3
| Property | Value |
|---|---|
| Space group | (160, "'R3m'") |
| Magnetic | False |
| Band gap (PBE) (eV) | 1.20 |
| Total energy (eV) | -25.910 |
| Total energy / atom (eV) | -3.701 |
| a, b, c (Å): | 9.570 | 9.570 | 6.990 |
| α, β, γ(°): | 90.0 | 90.0 | 120.0 |
| a, b, c (Å): | 6.190 | 6.190 | 6.190 |
| α, β, γ(°): | 106.0 | 106.0 | 106.0 |
| n_type (eV): | -5.496 |
| p_type (eV): | -6.910 |
As1S3Tl3
| Property | Value |
|---|---|
| Bulk-modulus | 35.355 GPa |
As1S3Tl3
| Property | Value |
|---|---|
| Band gap | 1.20 eV |
| Band degeneracy(CBM) | 1.00 |
| Band degeneracy(VBM) | 1.00 |
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 | -8.18385 |
| Eband_CBM | -2.19193 |
| Property | Value |
|---|---|
| Source | icsd-100292-As1S3Tl3 |