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| Journal Article | PUBDB-2026-01275 |
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2026
American Chemical Society
Washington, DC
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Please use a persistent id in citations: doi:10.1021/acs.inorgchem.5c05140 doi:10.3204/PUBDB-2026-01275
Abstract: Hydrogenation at gigapascal pressures can produce hydrides with potential superconducting, ionic, and hydrogen-storage properties. We studied the La–Al–H and La–Si–H systems up to 20 GPa using structure prediction and in situ synchrotron diffraction. In La–Al–H, only rhombohedral LaAlH$_6$ is stable. The La–Si–H system forms an orthorhombic monohydride, LaSiH, at low pressure, while LaSiH$_2$ and LaSiH$_7$ are predicted to be stable at 20 GPa, and LaSiH6 is slightly unstable. LaSiH$_2$ is structurally related to the monohydride, whereas LaSiH$_6$ and LaSiH$_7$ feature SiH$_6$$^{2–}$ units characteristic of hydridosilicates. Calculations predict superconductivity in LaSiH$_2$ and LaSiH6 with Tc ≈ 10 and 6 K. Experimentally, LaSiH$_2$ formation is indicated at 20 GPa, but higher hydrides were not observed due to decomposition into LaH$_3$ and Si, suggesting that pressures above 20 GPa are required to stabilize these phases at synthesis temperatures.
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