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Facility agriculture, which involves agricultural production in controlled environments such as greenhouses, indoor farms, and vertical farms, aims to maximize efficiency, yield, and quality while minimizing resource consumption and environmental impact. Energy-saving technologies are essential to the green and low-carbon development of facility agriculture. Recently, phase change heat storage (PCHS) systems using phase change materials (PCMs) have gained significant attention due to their high thermal storage density and excellent thermal regulation performance. These systems are particularly promising for applications in facility agriculture and related buildings, such as solar thermal utilization, greenhouse walls, and soil insulation. However, the low thermal conductivity of PCMs presents a challenge for applications requiring rapid heat transfer. This study aims to provide a comprehensive review of the types, thermophysical properties, and various forms of PCMs, including macro-encapsulated PCMs, shape-stabilized PCMs, and phase change capsules (PCCs), as well as their preparation methods. The research methodology involves an in-depth analysis of these PCMs and their applications in active and passive PCHS systems within facility agriculture and related buildings. The major conclusion of this study highlights the critical role of PCMs in advancing energy-saving technologies in facility agriculture. By enhancing PCM performance, optimizing latent heat storage systems, and integrating intelligent environmental control, this work provides essential guidelines for designing more efficient and sustainable agricultural structures. The article will serve as the fundamental guideline to design more robust structures for facility agriculture and related buildings.