CeOs4Sb12 is a very interesting material due to the diversity of physical properties which could be dedicated to industrial applications. With this goal in mind, electronic structural calculations were performed in order to provide information regarding its properties. The energy bands yielded information regarding its semiconductor behavior as well as a mini gap of the order of 0.45 eV between the valence and conduction bands. Moreover, total and projected density of states yielded information of a possible hybridization between Ce f-, Os d- and p-, with Sb p-orbitals. Hence, this compound could be considered a likely candidate as a thermoelectic material
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Galvan, D.H. Electronic properties of CeOs4Sb12. MRS Online Proceedings Library 886, 808 (2005). https://doi.org/10.1557/PROC-0886-F08-08