Quantum thermodynamics is a powerful theoretical tool for assessing the suitability of quantum materials as platforms for novel technologies. In particular, the modeling of quantum cycles allows us to investigate the heat changes and work extraction at the nanoscale, where quantum effects dominate over classical ones. In this Review, we cover the mathematical formulation used to model the quantum thermodynamic behavior of small-scale systems, building up the quantum analog versions of thermodynamic processes and reversible cycles. We discuss theoretical results obtained after applying this approach to model Heisenberg-like spin systems, which are toy models for metal complex systems. In addition, we discuss recent experimental advances in this class of materials that have been achieved using the quantum thermodynamic approach, paving the way for the development of quantum devices. Finally, we point out perspectives to guide future efforts in using quantum thermodynamics as a reliable and effective approach to establish metal complex systems as quantum materials for energy storage/harvesting purposes.