Toxicity and questionable stability of Lead (Pb) based perovskites solar cells (PSCs) have led to the hunt for alternatives. One such novel alternative is Methylammonium antimony iodide (MAAI), consisting Antimony (Sb) at metal cation site of perovskite structure instead of Lead (Pb). To explore the use of such wide band-gap perovskites in PSCs, bandgap-tuned 40% Sn4+doped MAAI as a perovskite absorber is being used. A working model of a PSC with an architecture of FTO/HTL/(MA3(Sb0.6Sn0.4)2I9)/ETL/Al was adopted, calibrated, and then simulated as a function of various imperative parameters as well as configurations of charge transport layers. Our findings indicate that out of various adapted charge transport layers PEDOT: PSS and SnO2 emerged as the optimal HTL-ETL combination for our PSC model, achieving an efficiency of 3.5867%. Interestingly, HTL performance decreased in the order: PEDOT: PSS > SnS > Cu: NiO > Spiro-OMeTAD > CuSCN in terms of device architecture, p–i–n was identified as the most efficient doping structure, followed by p–n–n and p–p–n. For ETL, SnO2 was superior for p–p–n and ZnO for p–i–n architectures. Varying p–n junction's distance from illumination side impacted efficiency, with p–n–n outperforming n–n–p. Moreover, interface defects, flat-band conditions, and metal work functions were also investigated to understand the behavior of the device. These findings provide valuable insights for researchers working on Antimony based novel and PSCs in general.