Display omitted •Photocatalytic cement-based materials are reviewed for purifying water sustainably.•Function mechanism and material classification are introduced.•Main fabrication methods and key performances are demonstrated.•Environment impacts are discussed from the views of material and water.•Several challenges and perspectives are also pointed out for future research. An inadequate supply of clean water remains one of the greatest problems to the sustainability of modern society. Owing to the inherent immobilization properties of cement-based materials and energy-saving features of photocatalysts, photocatalytic cement-based materials combining both have emerged as a potential platform for sustainable water purification without compromising mechanical performance under light irradiation. The current review exclusively summarizes the existing information on photocatalytic cement-based materials for sustainable water purification. First, the mechanisms (binding and purification) and the material classifications (cement-based materials and photocatalysts) were introduced. Second, the two main fabrication strategies (internal mixing and external coating) and three key performances (mechanical, photocatalytic, and durability properties) were demonstrated. Third, the material-related and environment-related impact were discussed. It is concluded that the research domain involving photocatalytic cement-based materials for sustainable water purification is in its initial phases, emphasizing the need for increased research attention to both laboratory exploration and pilot- or large-scale applications.