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Screening the organic materials database for superconducting metal-organic frameworks
Stockholm University, Nordic Institute for Theoretical Physics (Nordita). University of Connecticut, USA.ORCID iD: 0000-0003-4265-1824
Stockholm University, Nordic Institute for Theoretical Physics (Nordita). Stockholm University, Faculty of Science, Department of Physics. University of Connecticut, USA.ORCID iD: 0000-0001-6510-8870
Number of Authors: 22024 (English)In: PLOS ONE, E-ISSN 1932-6203, Vol. 19, no 11, article id e0310211Article in journal (Refereed) Published
Abstract [en]

The increasing financial and environmental cost of many inorganic materials has motivated study into organic and “green” alternatives. However, most organic compounds contain a large number of atoms in the primitive unit cell, posing a significant barrier to high-throughput screening for functional properties. In this work, we attempt to overcome this challenge and identify superconducting candidates among the metal-organic-frameworks in the organic materials database using a recently proposed proxy for the electron-phonon coupling. We then isolate the most promising candidate for in-depth analysis, C9H8Mn2O11, providing evidence for superconductivity below 100mK.

Place, publisher, year, edition, pages
2024. Vol. 19, no 11, article id e0310211
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Condensed Matter Physics
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URN: urn:nbn:se:su:diva-241049DOI: 10.1371/journal.pone.0310211ISI: 001352127000040PubMedID: 39514523Scopus ID: 2-s2.0-85208550211OAI: oai:DiVA.org:su-241049DiVA, id: diva2:1946790
Available from: 2025-03-24 Created: 2025-03-24 Last updated: 2025-03-24Bibliographically approved

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Tyner, AlexanderBalatsky, Alexander V.

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