Evolutionary structure searches are used to predict a new class of compounds in the lithium--rich region of the lithium/hydrogen phase diagram under pressure. First principles computations show that LimH, 4<m<9, are stabilized with respect to LiH and Li between 50-100 GPa. The building block of all of the lithium subhydrides is an Li8H cluster, which can be thought of as a superalkali. The geometries and electronic structures of these phases is analogous to that of the well-known alkali metal suboxides.
@article{arxiv.1207.6122,
title = {Lithium Subhydrides Under Pressure and their Superatom-Like Building Blocks},
author = {James Hooper and Eva Zurek},
journal= {arXiv preprint arXiv:1207.6122},
year = {2012}
}