Supercapacitors (SCs) are promising energy supply systems for various electronics. In this work, we detailed the in situ growth of FeCo 2 S 4 on MXene for asymmetric SCs. Notably, the digital model was first built to explore the relationship between wt (FeCo 2 S 4 ) and capacitance performance, realizing the maximum theoretical capacity (3635.7 F g −1 ) prediction. Furthermore, it was discovered that the synergistic effect of the FeCo 2 S 4 /MXene heterojunction could dramatically improve conductivity and structural stability, which accelerated charge transmission at the electrode/electrolyte interface, resulting in a significant enhancement in electrochemical performance. The FeCo 2 S 4 /MXene electrode exhibited a higher capacitance of 2415.3 F g −1 and a prominent long-term stability of about 90.5%. And the FeCo 2 S 4 /MXene//AC declared an impressive energy density of 68.7 Wh kg −1 at a power density of 800 W kg −1 . The FeCo 2 S 4 /MXene composite systems have great potential for advanced SC systems due to their facile assembly and remarkable electrochemical performance.