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Screening the organic materials database for superconducting metal-organic frameworks

Published 13 May 2024 in cond-mat.mtrl-sci, cond-mat.mes-hall, cond-mat.other, cond-mat.str-el, and cond-mat.supr-con | (2405.07632v1)

Abstract: 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, C<em>9<em>{9}H</em>8</em>{8}Mn<em>2<em>{2}O</em>11</em>{11}, providing evidence for superconductivity below $100$mK.

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