Prediction of Above-Room-Temperature Superconductivity in Lanthanide/Actinide Extreme Superhydrides.

Achieving room-temperature superconductivity has been an enduring scientific pursuit driven by broad fundamental interest and enticing potential applications. The recent discovery of high-pressure clathrate superhydride LaH with superconducting critical temperatures () of 250-260 K made it tantalizingly close to realizing this long-sought goal. Here, we report a remarkable finding based on an advanced crystal structure search method of a new class of extremely hydrogen-rich clathrate superhydride MH (M: rare-earth/actinide atom) stoichiometric compounds stabilized at an experimentally accessible pressure of 350 GPa. These compounds are predicted to host up to 330 K, which is well above room temperature. The bonding and electronic properties of these MH clathrate superhydrides closely resemble those of atomic metallic hydrogen, giving rise to the highest hitherto found in a thermodynamically stable hydride compound. An in-depth study of these extreme superhydrides offers insights for elucidating phonon-mediated superconductivity above room temperature in hydrogen-rich and other low-Z materials.