B6C2H14O2
MatHub3d-9868-B6C2H14O2
| Property | Value |
|---|---|
| Space group | (1, "'P1'") |
| Magnetic | False |
| Band gap (PBE) (eV) | 4.15 |
| Total energy (eV) | -119.023 |
| Total energy / atom (eV) | -4.959 |
| a, b, c (Å): | 5.670 | 5.680 | 8.300 |
| α, β, γ(°): | 76.0 | 76.0 | 78.0 |
| a, b, c (Å): | 5.880 | 5.920 | 8.850 |
| α, β, γ(°): | 77.0 | 75.0 | 77.0 |
| n_type (eV): | -9.254 |
| p_type (eV): | -5.510 |
B6C2H14O2
| Property | Value |
|---|---|
| Bulk-modulus | 66.320 GPa |
B6C2H14O2
| Property | Value |
|---|---|
| Band gap | 4.15 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 | 13.95068 |
| Eband_CBM | -4.42277 |
| Property | Value |
|---|---|
| Source | icsd-10171-B6C2H14O2 |