Screening the organic materials database for superconducting metal-organic frameworks

TL;DR

This study employs a novel proxy to screen organic metal-organic frameworks for superconductivity, identifying a promising candidate with potential superconducting properties below 100 mK.

Contribution

It introduces a high-throughput screening method for organic materials to find superconductors, overcoming the complexity of large unit cells.

Findings

Identified C₉H₈Mn₂O₁₁ as a promising superconducting candidate.

Provided evidence for superconductivity below 100 mK in the candidate.

Demonstrated the effectiveness of a new proxy for electron-phonon coupling in screening.

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$_{9}$H$_{8}$Mn$_{2}$O$_{11}$, providing evidence for superconductivity below $100$mK.