Machine learning screening of Mg-containing topological quantum materials followed by DFT validation identifies Mg₂VO₄ and Mg₆MnO₈ as high-voltage cathodes with average voltages of 3.66 V and 4.06 V.
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Discovery of High-Voltage Magnesium-Ion Cathodes using Machine Learning and First-Principles Calculations
Machine learning screening of Mg-containing topological quantum materials followed by DFT validation identifies Mg₂VO₄ and Mg₆MnO₈ as high-voltage cathodes with average voltages of 3.66 V and 4.06 V.