Thermodynamic equations of state (EOS) for crystalline solids describe material behaviors under changes in pressure, volume, entropy and temperature, making them fundamental to scientific research in a wide range of fields including geophysics, energy storage and development of novel materials. Despite over a century of theoretical development and experimental testing of energy–volume (E–V) EOS for solids, there is still a lack of consensus with regard to which equation is indeed optimal, as well as to what metric is most appropriate for making this judgment. In this study, several metrics were used to evaluate quality of fit for 8 different EOS across 87 elements and over 100 compounds which appear in the literature. Our findings do not indicate a clear “best” EOS, but we identify three which consistently perform well relative to the rest of the set. Furthermore, we find that for the aggregate data set, the RMSrD is not strongly correlated with the nature of the compound, e.g., whether it is a metal, insulator, or semiconductor, nor the bulk modulus for any of the EOS, indicating that a single equation can be used across a broad range of classes of materials.

结晶固体的热力学状态方程（EOS）描述了在压力，体积，熵和温度变化下的材料行为，使其成为广泛领域（包括地球物理学，能量存储和新型材料开发）科学研究的基础。尽管经过了一个多世纪的理论发展和固体能量-体积（E-V）EOS的实验测试，但对于哪个方程式确实是最佳的以及最适合用于制造的度量标准仍缺乏共识这个判断。在这项研究中，使用了几种指标来评估文献中出现的横跨87个元素和100多种化合物的8种不同EOS的拟合质量。我们的发现并未表明明显的“最佳” EOS，但是我们确定了三个相对于其余集合始终表现良好的。此外，我们发现，对于汇总数据集，RMSrD与化合物的性质（例如，它是金属，绝缘体还是半导体，或任何EOS的体积模量）均不强相关，这表明a单个方程可用于多种材料类别。