Abstract:The ΔHθf,298 and ΔGθf,298of 56 solid inorganic compounds were first estimated by the group contribution method. The estimated ΔHθf,298 and ΔGθf,298 were compared with the literature values, and the absolute value of the relative error is within 4%. Based on the group contribution method, a mathematical model for estimating LiNixCoyMnzO2 cathode materials ΔHθf,298 and ΔGθf,298 was constructed, and LiNi0.6Co0.2Mn0.2O2, LiNi0.5Co0.2Mn0.3O2, LiNi0.8Co0.1Mn0.1O2 and LiNi1/3Co1/3Mn1/3O2 were constructed, ΔHθf,298 are -705.39kJ.mol-1, -703.90kJ.mol-1, -695.67kJ.mol-1 and -705.17kJ.mol-1; ΔGθf,298are -647.98kJ.mol-1, -640.04kJ.mol-1, -631.10kJ.mol-1 and -642.41kJ.mol-1, respectively.