An illustration of the calculation of ⟨λ⟩ and ⟨σ 2 ⟩ is shown in Figure . The octahedral tilt was also investigated as a potential stability metric since it has been shown to be a significant factor in n>1 2D perovskites. For the present n=1 dataset, no additional explanatory power was observed for this variable in the context of distinguishing between stable and unstable 2D perovskites using the MD simulated structures.