Prediction of a new ground state of superhard compound B6O at ambient conditions

Huafeng Dong, Artem R. Oganov, Qinggao Wang +7

Boron suboxide B6O, the hardest known oxide, has an R-3m crystal structure (α-B6O) that can be described as an oxygen-intercalated structure of α-boron, or, equivalently, as a cubi…