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Jun 28

RbMgFe(MoO4)2 phase diagram 1

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Jun 28

RbMgFe(MoO4)2 phase diagram 1

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Created by route

Calculate energy above the convex hull

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template-RbMgFe(MoO4)2 1 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -82.5682 eV; energy change = -0.0142 eV; symmetry: P3 → P3

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ARR license

Phase diagram of RbMgFe(MoO4)2 with Orb v3 conservative inf MPA; e_above_hull: 0.374676 eV/atom; predicted_stable: False

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RbMgFe(MoO4)2 phase diagram 1 · Files on Ouro

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Connections

1

Inputs

template-RbMgFe(MoO4)2 1 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -82.5682 eV; energy change = -0.0142 eV; symmetry: P3 → P3

Created by route

Calculate energy above the convex hull