This paper presents the framework and results of analysis of the building materials used in traditional Chinese copper halls. The analysis of the Kunming copper hall (KCH) is presented as a typical example. First, the historical building structure of the KCH is investigated. Results of X-ray fluorescence (XRF) spectrometry are presented and analyzed according to the units of each building component. The results indicate that the different components in the same building were cast out of different alloys such as bronze, brass, and red copper. Furthermore, the XRF results are loaded into the geographic information system (GIS) to examine the relations between the building components and their materials. The GIS analysis indicates that the different alloys were deliberately chosen according to the function of each piece in the structure. Finally, the reason and significance of this phenomenon is discussed from the perspective of architectural history and the history of science and technology.