Property | Value |
---|---|
Space group | (164, "'P-3m1'") |
Magnetic | False |
Band gap (PBE) (eV) | 4.10 |
Total energy (eV) | -83.595 |
Total energy / atom (eV) | -6.966 |
a, b, c (Å): | 5.820 | 5.820 | 7.620 |
α, β, γ(°): | 90.0 | 90.0 | 120.0 |
a, b, c (Å): | 5.910 | 5.910 | 7.840 |
α, β, γ(°): | 90.0 | 90.0 | 120.0 |
n_type (eV): | -3.295 |
p_type (eV): | 3.911 |
Property | Value |
---|---|
Bulk-modulus | 109.273 GPa |
Eband_VBM | 10.74442 |
Eband_CBM | -24.0436 |
Property | Value |
---|---|
Source | icsd-10186-In1Mo2O8Rb1 |