C2Mg1Na2O6
MatHub3d-19519-C2Mg1Na2O6
| Property | Value |
|---|---|
| Space group | (148, "'R-3'") |
| Magnetic | False |
| Band gap (PBE) (eV) | 4.41 |
| Total energy (eV) | -72.998 |
| Total energy / atom (eV) | -6.636 |
| a, b, c (Å): | 4.950 | 4.950 | 16.420 |
| α, β, γ(°): | 90.0 | 90.0 | 120.0 |
| a, b, c (Å): | 6.240 | 6.240 | 6.240 |
| α, β, γ(°): | 47.0 | 47.0 | 47.0 |
| n_type (eV): | -7.838 |
| p_type (eV): | -4.834 |
C2Mg1Na2O6
| Property | Value |
|---|---|
| Bulk-modulus | 140.804 GPa |
C2Mg1Na2O6
| Property | Value |
|---|---|
| Band gap | 4.41 eV |
| Band degeneracy(CBM) | 1.00 |
| 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)
| Eband_VBM | -3.8614 |
| Eband_CBM | -2.2698 |
| Property | Value |
|---|---|
| Source | icsd-100482-C2Mg1Na2O6 |