c-(Hf₀.₅Ta₀.₅)H₁₀

I propose a hypothetical hydrogen-rich bimetallic compound, c-(Hf₀.₅Ta₀.₅)H₁₀, featuring a cubic clathrate crystal structure with space group Fm-3̅m, isostructural to the well-known high-pressure superconductor LaH₁₀. By combining heavy transition metals (hafnium and tantalum) with a dense hydrogen sublattice, this material is designed to generate strong internal chemical pressure, potentially stabilizing a highly compressed hydrogen network at or near ambient pressure. Using established theoretical frameworks for phonon-mediated superconductivity, including the McMillan–Allen–Dynes formula and isotropic Eliashberg theory, I estimate a superconducting critical temperature approaching the room-temperature regime, contingent on metastable structural retention.

Authors

Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2026-01-29
DOI
https://doi.org/10.5281/zenodo.18416300
Primary Topic
Inorganic Chemistry and Materials
Type
article
Field-Weighted Citation Impact
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article

c-(Hf₀.₅Ta₀.₅)H₁₀

Giustino Travaglini
Zenodo (CERN European Organization for Nuclear Research)
Inorganic Chemistry and Materials
article

c-(Hf₀.₅Ta₀.₅)H₁₀

Giustino Travaglini
article en

Abstract

I propose a hypothetical hydrogen-rich bimetallic compound, c-(Hf₀.₅Ta₀.₅)H₁₀, featuring a cubic clathrate crystal structure with space group Fm-3̅m, isostructural to the well-known high-pressure superconductor LaH₁₀. By combining heavy transition metals (hafnium and tantalum) with a dense hydrogen sublattice, this material is designed to generate strong internal chemical pressure, potentially stabilizing a highly compressed hydrogen network at or near ambient pressure. Using established theoretical frameworks for phonon-mediated superconductivity, including the McMillan–Allen–Dynes formula and isotropic Eliashberg theory, I estimate a superconducting critical temperature approaching the room-temperature regime, contingent on metastable structural retention.

Zenodo (CERN European Organization for Nuclear Research)
Openalex Percentile: Top 75%
Inorganic Chemistry and Materials
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