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The supplementary material for "Structural evolution and superionic state of MnOOH under high-pressure and high-temperature"

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posted on 2025-10-22, 12:07 authored by Yuelong Ding, Haoyu Wang, Wenwen Cui, Jian Hao, Shicong Ding, Jingming Shi, Yinwei Li
Its contains the structural parameters, Bader charges, phase diagram of Mn-O-H system, enthalpy differences, electron localization functions (ELFs), band gap as a function of pressure, mean squared displacements (MSDs), atomic trajectories, and the radial distribution functions (RDFs)

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