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Over the past decade, a combination of crystal structure predictiontechniques and experimental synthetic work has thoroughly explored the phasediagrams of binary hydrides under pressure. The fruitfulness of this dualapproach is demonstrated in the recent identification of severalsuperconducting hydrides with $T_c$s approaching room temperature. We startwith an overview of the computational procedures for predicting stablestructures and estimating their propensity for superconductivity. A survey ofphases with high $T_c$ reveals some common structural features that appearconducive to the strong coupling of the electronic structure with atomicvibrations that leads to superconductivity. We discuss the stability andsuperconducting properties of phases containing two of these -- molecular H$_2$units mixed with atomic H and hydrogenic clathrate-like cages -- as well asmore unique motifs. Finally, we argue that ternary hydride phases, which arefar less-explored, are a promising route to achieving simultaneouslysuperconductivity at high temperatures and stability at low pressures. Severalternary hydrides arise from the addition of a third element to a known binaryhydride structure through site mixing or onto a new site -- and several moreare based on altogether new structural motifs.

journal of applied physics

Tuning Chemical Precompression: Theoretical Design and Crystal Chemistry  of Novel Hydrides in the Quest for Warm and Light Superconductivity at  Ambient Pressures