Ca1Cr1F6
MatHub3d-24755-Ca1Cr1F6
| Property | Value |
|---|---|
| Space group | (148, "'R-3'") |
| Magnetic | True |
| Magnetic moment (μB) | 2.00 |
| Band gap (PBE) (eV) | 1.61 |
| Total energy (eV) | -44.006 |
| Total energy / atom (eV) | -5.501 |
| a, b, c (Å): | 5.340 | 5.340 | 14.150 |
| α, β, γ(°): | 90.0 | 90.0 | 120.0 |
| a, b, c (Å): | 5.750 | 5.750 | 5.750 |
| α, β, γ(°): | 57.0 | 57.0 | 57.0 |
| n_type (eV): | -1.210 |
| p_type (eV): | -0.138 |
Ca1Cr1F6
| Property | Value |
|---|---|
| Bulk-modulus | 84.844 GPa |
Ca1Cr1F6
| Property | Value |
|---|---|
| Band gap | 1.61 eV |
| Band degeneracy(CBM) | 0.00 |
| Band degeneracy(VBM) | 3.00 |
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)
| Property | Value |
|---|---|
| Source | icsd-10343-Ca1Cr1F6 |