The high pressure structures, metallization, and superconductivity of recently synthesized H2-containing compounds (H2S)2H2 are elucidated by ab initio calculations. The ordered crystal structure with P1 symmetry is determined, supported by the good agreement between theoretical and experimental X-ray diffraction data, equation of states, and Raman spectra. The Cccm structure is favorable with partial hydrogen bond symmetrization above 37 GPa. Upon further compression, H2 molecules disappear and two intriguing metallic structures with R3m and Im-3m symmetries are reconstructive above 111 and 180 GPa, respectively. The predicted metallization pressure is 111 GPa, which is approximately one-third of the currently suggested metallization pressure of bulk molecular hydrogen. Application of the Allen-Dynes-modified McMillan equation for the Im-3m structure yields high Tc values of 191 K to 204 K at 200 GPa, which is among the highest values reported for H2-rich van der Waals compounds and MH3 type hydride thus far.
Solid hydrogen sulfide is well known as a typical molecular crystal but its
stability under pressure is still under debate. Particularly, Eremets et al.
found the high pressure superconductivity with $T_{c}\approx$ 190 K in a
H$_{2}$S sample [arXiv: 1412.0460 (2014)] which is associates with the
elemental decomposition into H$_{3}$S [Sci. Rep. 4, 6968 (2014)]. Therefore, on
what pressure H$_{2}$S can decompose and which kind of the products of
decomposition urgent need to be solved. In this paper, we have performed an
extensive structural study on different stoichiometries H$_{n}$S with ${n> 1}$
under high pressure using $ab$ $initio$ calculations. Our results show that
H$_{2}$S is stable below 50 GPa and decomposes into H$_3$S and sulfur at high
pressure, while H$_{3}$S is stable at least up to 300 GPa. The other
hydrogen-rich H$_{4}$S, H$_{5}$S, and H$_{6}$S are unstable in the pressure
range from 20 to 300 GPa
Importance Certain individuals, when infected by SARS-CoV-2, tend to develop the more severe forms of Covid-19 illness for reasons that remain unclear. Objective To determine the demographic and clinical characteristics associated with increased severity of Covid-19 infection. Design Retrospective observational study. We curated data from the electronic health record, and used multivariable logistic regression to examine the association of pre-existing traits with a Covid-19 illness severity defined by level of required care: need for hospital admission, need for intensive care, and need for intubation. Setting A large, multihospital healthcare system in Southern California.
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