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Ni3TeO6 phase diagram · Files on Ouro

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Ni3TeO6 phase diagram

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Phase diagram of Ni3TeO6 with Orb v3 conservative inf MPA; e_above_hull: 0.151782 eV/atom; predicted_stable: False

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template-Ni3TeO6 - relaxed 1
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -51.8663 eV; energy change = -0.0952 eV; symmetry: R3 → R3

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Calculate energy above the convex hull