The unsafe behavior of miners seriously affects the safety of deep mining. A comprehensive evaluation of miners’ unsafe behavior in deep coal mines can prevent coal mine accidents. This study combines HFACS-CM, SEM, and SD models to evaluate miners’ unsafe behaviors in deep coal mining. First, the HFACS-CM model identifies the risk factors affecting miners’ unsafe behavior in deep coal mines. Second, SEM was used to analyze the interaction between risk factors and miners’ unsafe behavior. Finally, the SD model was used to simulate the sensitivity of each risk factor to miners’ unsafe behavior to explore the best prevention and control strategies for unsafe behavior. The results showed that (1) environmental factors, organizational influence, unsafe supervision, and unsafe state of miners are the four main risk factors affecting the unsafe behavior of miners in deep coal mines. Among them, the unsafe state of miners is the most critical risk factor. (2) Environmental factors, organizational influence, unsafe supervision, and the unsafe state of miners have both direct and indirect impacts on unsafe behaviors, and their immediate effects are far more significant than their indirect influence. (3) Environmental factors, organizational influence, and unsafe supervision positively impact miners’ unsafe behavior through the mediating effect of miners’ unsafe states. (4) Mental state, physiological state, business abilities, resource management, and organizational climate were the top five risk factors affecting miners’ unsafe behaviors. Taking measures to improve the adverse environmental factors, strengthening the organization’s supervision and management, and improving the unsafe state of miners can effectively reduce the risk of miners’ unsafe behavior in deep coal mines. This study provides a new idea and method for preventing and controlling the unsafe behavior of miners in deep coal mines.