Tolerance factors (TF) and octahedral factors (μ) of studied compounds.
Compounds | TF | μ | ΔE (eV) |
---|---|---|---|
DMASnI3 | 1.04 | 0.51 | −77.63 |
DMAGeI3 | 1.17 | 0.35 | −36.54 |
DMASn0.75Ge0.25I3 | 1.07 | 0.42 | −215.98 |
DMASn0.50Ge0.50I3 | 1.10 | 0.42 | −170.59 |
DMASn0.25Ge0.75I3 | 1.14 | 0.57 | −139.64 |