neighboring Br atoms, while each Br atom interacts with 2 adjacent Cr atoms. It is worth mentioning that the optimized two-dimensional lattice parameter of a = 6.38 Å, closely consistent with the reported value both theoretically and experimentally. Additionally, the average Cr-Cr bond length measures 2.52 Å, and the average Cr-Br-Cr angle amounts to 94.5 °, both of which closely correspond to data found in other reputable literature. These findings serve as strong evidence affirming the accuracy and validity of our computational calculations.