cp-tools: A Python library for predicting heat capacity of crystalline substances

A Python library, called cp-tools, is presented that can be used to predict heat capacity c p of a crystalline phase based on the Debye temperature, thermal expansion coefficient at the Debye temperature, and the zero-Kelvin properties volume and bulk modulus. The temperature dependence of thermal expansion, volume, bulk modulus and heat capacity can be assessed to obtain a reliable thermodynamic description of a substance. In addition, several scripts are provided for obtaining and evaluating the input parameters from experimental data.