Isolated Au–B covalent bonds can be stabilized by bulky ligands or cluster confinement, but translating such bonds into an infinite solid has remained elusive. Here, the authors use crystal structure search with first-principles calculations at high pressure to identify a family of ternary compounds featuring Au–B covalent frameworks, M2AuB6 (M = Na, K, Mg, Ca, and Sr), and show that increased electron phonon-coupling stemming from Au−B bond stretching can lead to superconductivity in Na2AuB6 and K2AuB6.
- Shuai Han
- Xiaohua Zhang
- Guochun Yang
