Potential high-T superconductivity in ZrB2 polymorph under pressure

A Metastable CaSH3 Phase Composed of HS Honeycomb Sheets that is Superconducting Under Pressure

“…To date computations have predicted only a handful of ternaries with T c s larger than 100 K, including LiPH 6 (167 K at 200 GPa), 25 LiP 2 H 14 (169 K at 230 GPa), 26 (197 K at 200 GPa), 32 and CaYH 12 (258 K at 200 GPa). 33 However, with notable exceptions, [25][26][27][28][29] CSP searches were not carried out for a broad range of potential stoichiometries, and only a few compositions were considered.…”

“…(197 K at 200 GPa), 32 and CaYH 12 (258 K at 200 GPa). 33 However, with notable exceptions, [25][26][27][28][29] CSP searches were not carried out for a broad range of potential stoichiometries, and only a few compositions were considered.…”

“…At the same time, the vast parameter space tantalizes at the prospect of discovering a stable or metastable species that has a high T c at mild pressures. To date computations have predicted only a handful of ternaries with T c values larger than 100 K, including LiPH 6 (167 K at 200 GPa), LiP 2 H 14 (169 K at 230 GPa), Li 2 MgH 16 (473 K at 250 GPa), CH 4 –SH 3 (194 K at 150 GPa, or 181 K at 100 GPa), SH 3 –SeH 3 (196 K at 200 GPa), MgCH 4 (121 K at 105 GPa), H 3 P 0.15 S 0.85 (197 K at 200 GPa), and CaYH 12 (258 K at 200 GPa) . However, with notable exceptions, − CSP searches were not carried out for a broad range of potential stoichiometries, and only a few compositions were considered.…”

High-$T\rm_{c}$ superconductivity of clathrate Y$_{3}$EuH$_{24}$

“…Several possibly stable structures were generated based on the stoichiometric composition (YH 6 ) x (EuH 6 ) y as displayed in the convex-hull diagram in Figure 1, among which Cmmm-YEu 3 H 24 , Cmmm-YEuH 12 , Immm-YEu 3 H 24 , and F m 3m-Y 3 EuH 24 seemed to be thermodynamically stable. The existence of promising high-T c ternary hydride candidates based on binary hexahydrides have already been investigated for La-Ce-H [34], Ca-Y-H [31,56], La-Y-H [35], Y/La-K-H [57]. Nevertheless, all the other compositions lying above the convex-hull are meta-stable structures which could potentially decompose into their parent binaries Im 3m-YH 6 and Im 3m-EuH 6 .…”

“…Inspired from the predictions of CaH 6 [10] and YH 6 [30], Liang et al [31], theoretically examined the properties of ternary hydride CaYH 12 and reported the T c of 258 K at 200 GPa which is surprisingly similar to those of parent binary phases. A more recent report [32] has suggested stable high-T c ternary hydrides YCeH 20 and LaCeH 20 motivated by the properties of parent binaries CeH 9 , YH 9 and LaH 10 , CeH 10 respectively.…”