Using the algorithm of prediction of the evolutionary USPEX crystal structure, chemists have discovered 14 new hydrides of uranium, including hydrogen-rich high-temperature superconductors DH 7 , DH 8 , DH 9 , 13 U 2 H U 2 H 17.
Their crystal structures are based on either FCC or in hcp-uranium sublattice, and H 8 cubic clusters. The high-pressure experiments have successfully produced 5 UH at a pressure of 5 HPa, DH 7 at 31 HPa and DH 8 + δ at 45 GPA, confirming the predictions and confirming their reliability. New polyhydride uranium was identified by the closest match the theoretically calculated and experimental diffraction patterns and equations of state.
Scientists predict that UH 7-9 are superconductors with a maximum T c for UH 7 (54 K at 20 HPa). Superconducting hydrides of uranium occur at unusually low pressures. Given the dynamic stability of the UH 7-8 at zero pressure, there is a possibility for them to exist as metastable phases at ambient pressure, where the values of T c will reach 57-66 K.
In addition, given the presence of a pseudogap at the Fermi level for all UH 7-9 connections, it can be expected that doping is effective in enhancing T c . This and other work lead to the possible emergence of new high-temperature superconductors actinides.
The real work of scientists shows the predictive power of modern methods of crystal structure prediction is able to find unusual materials and exotic chemicals.