LaBH8 : Towards high- Tc low-pressure superconductivity in ternary superhydrides

Simone Di Cataldo*, Christoph Heil, Wolfgang von der Linden, Lilia Boeri

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review


In the last five years a large number of new high-temperature superconductors have been predicted and experimentally discovered among hydrogen-rich crystals, at pressures, which are way too high to meet any practical application. In this paper, we report the computational prediction of a hydride superconductor, , with a of 126 K at a pressure of 50 GPa, thermodynamically stable above 100 GPa, and dynamically stable down to 40 GPa, an unprecedentedly low pressure for high- hydrides. can be seen as a ternary sodalite-like hydride, in which a metallic hydrogen sublattice is stabilized by the chemical pressure exerted by the La-B scaffolding, which achieves a more efficient packing of atoms than in binary sodalite hydrides thanks to the combination of elements with very different sizes. The proposed aufbau principle may be exploited to design high- hydrides that survive at even lower pressure, through a careful choice of the elements.

Original languageEnglish
Article numberL020511
Number of pages6
JournalPhysical Review B
Issue number2
Publication statusPublished - 1 Jul 2021

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics


  • NAWI Graz


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