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Sr3Ti2Mn2BiO12 phase diagram · Files on Ouro

Jun 28

Sr3Ti2Mn2BiO12 phase diagram

Overview

Attribution

Phase diagram of Sr3Ti2Mn2BiO12 with Orb v3 conservative inf MPA; e_above_hull: 0.046224 eV/atom; predicted_stable: False

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Calculate energy above the convex hull

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Inputs

template-Sr3Ti2Mn2BiO12 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -147.0054 eV; energy change = -0.0029 eV; symmetry: R-3m → R-3m