Hydrogen Clathrate Structures in Uranium Hydrides at High Pressures

[Image: see text] Room-temperature superconductivity has always been an area of intensive research. Recent findings of clathrate metal hydrides structures have opened up the doors for achieving room-temperature superconductivity in these materials. Here, we report first-principles calculations for stable H-rich clathrate structures of uranium hydrides at high pressures. The clathrate uranium hydrides contain H cages with stoichiometries of H(24), H(29), and H(32), in which H atoms are bonded covalently to other H atoms, and U atoms occupy the centers of the cages. Especially, a UH(10) clathrate structure containing H(32) cages is predicted to have an estimated T(c) higher than 77 K at high pressures.