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Sep 4

Nd3SmFe44(CoN)4 phase diagram

Created by route

Calculate energy above the convex hull

1

gpac-pm-RE01-Nd3SmFe44Co4N4-ThMn12N-0932cf4c4836 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -457.4984 eV; energy change = -2.1011 eV; symmetry: P1 → P4mm

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Phase diagram of Nd3SmFe44(CoN)4 with Orb v3 conservative inf MPA; e_above_hull: 0.116787 eV/atom; predicted_stable: False

Nd3SmFe44(CoN)4 phase diagram · Files on Ouro

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1

gpac-pm-RE01-Nd3SmFe44Co4N4-ThMn12N-0932cf4c4836 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -457.4984 eV; energy change = -2.1011 eV; symmetry: P1 → P4mm

Created by route

Calculate energy above the convex hull