Ab initio analysis of the structural, hydrogen storage, mechanical, electronic, and optical characteristics of Cs<sub>2</sub>XAlH<sub>6</sub> (X = K, Na, Rb) double perovskite hydrides.

Sci Rep · 2025 · PMC12484629 · PMID 41028122

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a decreasing trendno p-value reported

In subfigure (b), the Helmholtz free energy exhibits a decreasing trend as temperature rises, reflecting enhanced atomic disorder and thermal agitation.

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Quoted from the open-access full text in Europe PMC under the licence the publisher applied. The sentence is reproduced exactly as published; the emphasis is ours.

Ab initio analysis of the structural, hydrogen storage, mechanical, electronic, and optical characteristics of Cs&lt;sub&gt;2&lt;/sub&gt;XAlH&lt;sub&gt;6&lt;/sub&gt; (X = K, Na, Rb) double perovskite hydrides.

The sentences

Ab initio analysis of the structural, hydrogen storage, mechanical, electronic, and optical characteristics of Cs<sub>2</sub>XAlH<sub>6</sub> (X = K, Na, Rb) double perovskite hydrides.