Predicting superconductivity near 70 K in 1166-type boron-carbon clathrates at ambient pressure

The search for a novel superconductor exhibiting a high critical temperature (high Tc) or even near room temperature at an accessible synthetic pressure is a persistent objective for both experimental and theoretical physicists. Here, we conduct a systematic high -throughput structure search on boron -carbon clathrates at ambient pressure and uncover two stable 1166 -type superconductors, RbYbB6C6 and RbBaB6C6, both exhibiting maximum Tc - 70 K. The high-Tc superconductivity in 1166 -type superconductors is attributed to two key factors: an enhanced density of states at the Fermi level and the strong B -C covalent framework in boron -carbon clathrates, which enhance the electron -phonon coupling and facilitate superconductivity at temperatures near the boiling point of liquid nitrogen. These results provide a significant advancement in understanding the underlying mechanisms of superconductivity in 1166 -type boron -carbon based superconductors and offer valuable avenues for the design and synthesis of advanced high -temperature superconductors at ambient conditions.