In order to accelerate the realization of the goal of “dual carbon”, the PEDF buildings (Photovoltaic Electricity Generation, Electricity Storage, Direct Current Distribution and Flexible Electricity Consumption), as an important technological path to facilitate the transition of urban energy systems and enhance the local utilization rate of photovoltaic (PV) power, this technology integrates photovoltaic generation, energy storage, Direct Current (DC) distribution, and flexible load interaction technologies, and possesses multiple advantages, such as flexibility, stability and economy. In this paper, the basic concepts and technical characteristics of photovoltaic storage and direct flexible buildings are sorted out, followed by an in-depth discussion on the construction strategy of LCSA analysis around photovoltaic storage and direct flexible buildings. This paper constructs a sustainability evaluation framework for the whole life cycle of optical storage and direct flexible buildings from three dimensions: environmental, economic and social. The environmental dimension focuses on the carbon emission and resource consumption of the building in the stages of material production, construction, operation and maintenance, and dismantling and recycling; the economic dimension evaluates the investment cost, operational efficiency, and market acceptance of the building; and the social dimension considers its impacts on employment, residents’ quality of life, and community development. Through the establishment of the evaluation model of the three dimensions, we provide a theoretical basis and feasibility study for the development of optical storage and direct-supply technology applied in the field of building energy efficiency.