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The phase stability of the Li2MnSiO4 during Li insertion/extraction, is a key requirement for acceptable cyclability and practical application asa cathode material for lithium batteries. Here we present first-principles calculations used to study the phase stability of Mg substituted Li2MnSiO4. The 137 structures of Li2Mn1−xMgxSiO4 (x=0.25–0.50) were calculated based on 5 known polymorphs of Li2MnSiO...
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