Al2H4O9Si2
MatHub3d-2701-Al2H4O9Si2
| Property | Value |
|---|---|
| Space group | (1, "'P1'") |
| Magnetic | False |
| Band gap (PBE) (eV) | 4.93 |
| Total energy (eV) | -114.621 |
| Total energy / atom (eV) | -6.742 |
| a, b, c (Å): | 5.150 | 5.150 | 7.380 |
| α, β, γ(°): | 75.0 | 84.0 | 60.0 |
| a, b, c (Å): | 5.220 | 5.220 | 7.480 |
| α, β, γ(°): | 84.0 | 75.0 | 60.0 |
| n_type (eV): | -12.080 |
| p_type (eV): | -4.943 |
Al2H4O9Si2
| Property | Value |
|---|---|
| Bulk-modulus | 165.141 GPa |
Al2H4O9Si2
| Property | Value |
|---|---|
| Band gap | 4.93 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 | -6.45994 |
| Eband_CBM | -0.68236 |
| Property | Value |
|---|---|
| Source | icsd-107384-Al2H4O9Si2 |