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...

Full description

Bibliographic Details
Authors: Sanna, Antonio, Cerqueira, Tiago F. T., Dogus Cubuk, Ekin, Errea Lope, Ion, Fang, Yue-Wen
Format: article
Publication Date:2026
Country:España
Institution:Universidad del País Vasco
Repository:Addi. Archivo Digital para la Docencia y la Investigación
OAI Identifier:oai:dnet:addi________::3ab4eb762b93b0ec123534d578087676
Online Access:http://hdl.handle.net/10810/78673
Access Level:Open access
id ES_6eb7e90dc57e5ad2a171f4cee07131f4
oai_identifier_str oai:dnet:addi________::3ab4eb762b93b0ec123534d578087676
network_acronym_str ES
network_name_str España
repository_id_str
spelling Search for thermodynamically stable ambient-pressure superconducting hydrides in the GNoME databaseSanna, AntonioCerqueira, Tiago F. T.Dogus Cubuk, EkinErrea Lope, IonFang, Yue-WenHydrides 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.This project is funded by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (Grant Agreement No. 802533) and the Department of Education, Universities and Research of the Eusko Jaurlaritza and the University of the Basque Country UPV/EHU (Grant No. IT1527-22). The authors acknowledge the financial support received from the IKUR Strategy under the collaboration agreement between Ikerbasque Foundation and Centro de Física de Materiales (CFM- MPC) on behalf of the Department of Science, Universities and Innovation of the Basque Government (HPCAI21: AI-CrysPred). This project is also partially supported by the Extraordinary Grant of CSIC (No. 2025ICT122). T.F.T.C acknowledges financial support from FCT - Fundação para a Ciência e Tecnologia, I.P. through the project CEECINST/00152/2018/ CP1570/CT0006 with DOI identifier 10.54499/CEECINST/00152/2018/ CP1570/ CT0006, and computing resources provided by the project Advanced Computing Project 2023.14294.CPCA.A3, platform Deucalion. Y.-W.F. and I.E. acknowledge PRACE for awarding access to the EuroHPC supercomputer LUMI located in CSC’s data center in Kajaani, Finland, through EuroHPC Joint Undertaking (EHPC-REG-2022R03-090 and EHPC- REG-2024R01-084).NatureEuropean Commission202620262026info:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10810/78673reponame:Addi. Archivo Digital para la Docencia y la Investigacióninstname:Universidad del País VascoInglésinfo:eu-repo/grantAgreement/EC/H2020/802533https://www.nature.com/articles/s42005-026-02552-4info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/4.0/© The Author(s) 2026. This article is licensed under a Creative Commons Attribution 4.0 International Licenseoai:dnet:addi________::3ab4eb762b93b0ec123534d5780876762026-06-18T09:23:17Z
dc.title.none.fl_str_mv Search for thermodynamically stable ambient-pressure superconducting hydrides in the GNoME database
title Search for thermodynamically stable ambient-pressure superconducting hydrides in the GNoME database
spellingShingle Search for thermodynamically stable ambient-pressure superconducting hydrides in the GNoME database
Sanna, Antonio
title_short Search for thermodynamically stable ambient-pressure superconducting hydrides in the GNoME database
title_full Search for thermodynamically stable ambient-pressure superconducting hydrides in the GNoME database
title_fullStr Search for thermodynamically stable ambient-pressure superconducting hydrides in the GNoME database
title_full_unstemmed Search for thermodynamically stable ambient-pressure superconducting hydrides in the GNoME database
title_sort Search for thermodynamically stable ambient-pressure superconducting hydrides in the GNoME database
dc.creator.none.fl_str_mv Sanna, Antonio
Cerqueira, Tiago F. T.
Dogus Cubuk, Ekin
Errea Lope, Ion
Fang, Yue-Wen
author Sanna, Antonio
author_facet Sanna, Antonio
Cerqueira, Tiago F. T.
Dogus Cubuk, Ekin
Errea Lope, Ion
Fang, Yue-Wen
author_role author
author2 Cerqueira, Tiago F. T.
Dogus Cubuk, Ekin
Errea Lope, Ion
Fang, Yue-Wen
author2_role author
author
author
author
dc.contributor.none.fl_str_mv European Commission
description 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.
publishDate 2026
dc.date.none.fl_str_mv 2026
2026
2026
dc.type.none.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv http://hdl.handle.net/10810/78673
url http://hdl.handle.net/10810/78673
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv info:eu-repo/grantAgreement/EC/H2020/802533
https://www.nature.com/articles/s42005-026-02552-4
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by/4.0/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by/4.0/
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Nature
publisher.none.fl_str_mv Nature
dc.source.none.fl_str_mv reponame:Addi. Archivo Digital para la Docencia y la Investigación
instname:Universidad del País Vasco
instname_str Universidad del País Vasco
reponame_str Addi. Archivo Digital para la Docencia y la Investigación
collection Addi. Archivo Digital para la Docencia y la Investigación
repository.name.fl_str_mv
repository.mail.fl_str_mv
_version_ 1869410443764695040
score 15,812429

Similar Items