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The study of superconductivity in compressed hydrides is of great interestdue to measurements of high critical temperatures (Tc) in the vicinity of roomtemperature, beginning with the observations of LaH10 at 170-190 GPa. However,the pressures required for synthesis of these high Tc superconducting hydridescurrently remain extremely high. Here we show the investigation of crystalstructures and superconductivity in the La-B-H system under pressure withparticle-swarm intelligence structure searches methods in combination withfirst-principles calculations. Structures with six stoichiometries, LaBH,LaBH3, LaBH4, LaBH6, LaBH7 and LaBH8, were predicted to become stable underpressure. Remarkably, the hydrogen atoms in LaBH8 were found to bond with Batoms in a manner that is similar to that in H3S. Lattice dynamics calculationsindicate that LaBH7 and LaBH8 become dynamically stable at pressures as low as109.2 and 48.3 GPa, respectively. Moreover, the two phases were predicted to besuperconducting with a critical temperature (Tc) of 93 K and 156 K at 110 GPaand 55 GPa, respectively. Our results provide guidance for future experimentstargeting new hydride superconductors with both low synthesis pressures andhigh Tc.

Prediction of high-Tc superconductivity in ternary lanthanum borohydrides