Due to negative environmental impacts caused by the building industry, sustainable buildings have recently become one of the most investigated fields in research. As the design technique itself is mainly responsible for building performance, building energy design optimization is of particular interest. Several studies concentrate on systems, operation, and control optimization, complemented by passive strategies, specifically related to the envelope. In building physics, different architectural considerations, in particular, the building’s shape, are essential variables, as they greatly influence the performance of a building. Most scientific work that takes into consideration building geometry explores spaces without any energy optimization or calculates optimization processes of a few basic variables of simplified space geometries. Review studies mainly discuss the historic development of optimization algorithms, building domains, and the algorithm-system and software framework performance with coupling issues. By providing a systemized clustering of different levels of shape integration intensities, space creation principals, and algorithms, this review explores the current status of sustainability related shape optimization. The review proves that geometry design variable modifications and, specifically, shape generation techniques offer promising optimization potential; however, the findings also indicate that building shape optimization is still in its infancy.