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Mn4Cr(Co2Sn)5 phase diagram · Files on Ouro

Jun 28

Mn4Cr(Co2Sn)5 phase diagram

Overview

Attribution

Phase diagram of Mn4Cr(Co2Sn)5 with Orb v3 conservative inf MPA; e_above_hull: 0.016021 eV/atom; predicted_stable: True

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Created by route

Calculate energy above the convex hull

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Inputs

template-Mn4Cr(Co2Sn)5 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -138.8493 eV; energy change = -0.0008 eV; symmetry: R-3m → R-3m