Property | Value |
---|---|
Space group | (13, "'P2/c'") |
Magnetic | False |
Band gap (PBE) (eV) | 1.01 |
Total energy (eV) | -77.430 |
Total energy / atom (eV) | -4.839 |
a, b, c (Å): | 5.870 | 6.700 | 5.660 |
α, β, γ(°): | 90.0 | 110.0 | 90.0 |
a, b, c (Å): | 5.950 | 6.790 | 5.760 |
α, β, γ(°): | 90.0 | 110.0 | 90.0 |
n_type (eV): | -5.204 |
p_type (eV): | -0.509 |
Property | Value |
---|---|
Bulk-modulus | 86.478 GPa |
Eband_VBM | -19.16444 |
Eband_CBM | -0.63979 |
Property | Value |
---|---|
Source | icsd-10319-Bi2Na6O8 |