Influence of Metal Defects on the Mechanical Properties of ABX₃ Perovskite-Type Metal-formate Frameworks

Defects are emerging as a key tool for fine-tuning the stimuli-responsive behavior of coordination polymers and metal–organic frameworks. Here, we study ramifications defects on mechanical properties molecular perovskite [C(NH2)3]MnII(HCOO)3 its defective analogue [C(NH2)3]Fe2/3III□1/3(HCOO)3, where □ = vacancy. reduce bulk modulus by 30% give rise to temperature-driven phase transition not observed in nondefective system. The results highlight opportunities that come with defect-engineering approaches alter underlying thermodynamics, important implications research materials.