Search for thermodynamically stable ambient-pressure superconducting hydrides in the GNoME database

Hydrides are considered to be one of the most promising families of compounds for achieving high temperature superconductivity. However, there are very few experimental reports of ambient-pressure hydride superconductivity, and the superconducting critical temperatures (Tc) are typically less than 1...

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Detalles Bibliográficos
Autores: Sanna, Antonio, Cerqueira, Tiago F. T., Dogus Cubuk, Ekin, Errea Lope, Ion, Fang, Yue-Wen
Tipo de recurso: artículo
Fecha de publicación:2026
País:España
Institución:Universidad del País Vasco
Repositorio:Addi. Archivo Digital para la Docencia y la Investigación
OAI Identifier:oai:dnet:addi________::3ab4eb762b93b0ec123534d578087676
Acceso en línea:http://hdl.handle.net/10810/78673
Access Level:acceso abierto
Descripción
Sumario:Hydrides are considered to be one of the most promising families of compounds for achieving high temperature superconductivity. However, there are very few experimental reports of ambient-pressure hydride superconductivity, and the superconducting critical temperatures (Tc) are typically less than 10 K. At the same time several hydrides have been predicted to exhibit superconductivity around 100 K at ambient pressure but in thermodynamically unfavorable phases. In this work we aim at assessing the superconducting properties of thermodynamically stable hydride superconductors at room pressure by investigating the GNoME material database, which has been recently released and includes thousands of hydrides thermodynamically stable at 0K. To scan this large material space we have adopted a multi stage approach which combines machine learning for a fast initial evaluation and cutting edge ab initio methods to obtain a reliable estimation of Tc. Ultimately we have identified 25 cubic hydrides with Tc above 4.2 K and reach a maximum Tc of 17 K. While these critical temperatures are modest in comparison to some recent predictions, the systems where they are found, being stable, are likely to be experimentally accessible and of potential technological relevance.