用亚点阵模型和络合物模型描述ⅢⅤ族半导体ＭＯＣＶＤ生长过程中涉及的凝聚相及气相的热力学性质，以系统最小自由焓为相平衡判据；用ＣＡＬＰＨＡＤ技术，计算了包括复杂化学反应的多元复相体系的相图和有关相平衡信息；对多元化合物的成分空间及相应的点阵常数、能带间隙和自由焓等性质在该空间的表达提出了规范性模式。结合编建的ＣＨＡｌＧａＩｎＰＡｓＳｂ体系热力学数据库，对ⅢⅤ族合金半导体ＭＯＣＶＤ、ＭＢＥ和ＬＰＥ工艺的计算机辅助设计具有重要作用。 The sub-lattice model and the complex model are used to describe the thermodynamic properties of condensed phase and gas phase involved in the MOCVD growth of Group III-V semiconductors. The minimum free enthalpy of the system is used as the phase equilibrium criterion. CALPHAD The phase diagram and relative phase equilibrium information of the multivariate multiphase system are presented. The normative modes are proposed for the expression of the compound space, the corresponding lattice constant, the energy gap and the free enthalpy. Combined with the compiled thermodynamic database of CHAlGaInPAsSb system, it plays an important role in the computer aided design of MOCVD, MBE and LPE for ⅢG family semiconductors.