Fuente: PubMed "swarm" Phys Chem Chem Phys. 2026 Jan 8. doi: 10.1039/d5cp03406j. Online ahead of print.ABSTRACTThe discovery of high-temperature superconductivity in lanthanide- and sulfur-hydrides has attracted substantial interest recently. Here, we systematically investigate the high-pressure phase stability and superconducting properties of Ce-S-H ternary hydrides using first-principles calculations coupled with swarm-intelligence-based structure prediction methods. Our calculations reveal that all considered compositions (CeSH2, CeSH3, CeSH6, CeSH8, CeSH9 and CeSH10) exhibit thermodynamic and dynamic stability within the pressure range of 50-300 GPa. The hydrogen configurations in these compounds feature diverse motifs, including isolated H atoms, molecular "H2" and "H3" units, and H-S covalent networks, as validated by electron localization function (ELF) and Bader charge analysis. Notably, electron-phonon coupling (EPC) calculations identify Cm-CeSH9 and Cc-CeSH10 as promising superconductors, with transition temperatures (Tc) of 73.3 K at 150 GPa and 95.7 K at 300 GPa, respectively. These findings highlight the potential of Ce-S-H systems as high-Tc candidates under high-pressure conditions.PMID:41504398 | DOI:10.1039/d5cp03406j