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Jun 29

Cr2AgN3 phase diagram

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Cr2AgN3 phase diagram · Files on Ouro

Jun 29

Cr2AgN3 phase diagram

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Created by route

Calculate energy above the convex hull

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template-Cr2AgN3 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -140.9698 eV; energy change = -0.0257 eV; symmetry: P3121 → P3121

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Phase diagram of Cr2AgN3 with Orb v3 conservative inf MPA; e_above_hull: 0.355851 eV/atom; predicted_stable: False

No compatible actions yet

Created by route

Calculate energy above the convex hull

Connections

1

Inputs

template-Cr2AgN3 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -140.9698 eV; energy change = -0.0257 eV; symmetry: P3121 → P3121