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tree-gen-7-v02.cif - relaxed · Files on Ouro

15d

tree-gen-7-v02.cif - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -94.2822 eV; energy change = -50.0229 eV; symmetry: Pnma → Pm

1.11 KB

.cif file

Relax a crystal structure

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1 input asset

tree-gen-7-v02.cif
.cif file
Crystal structure generated by TreeQuest optimization (file 7)
15d

1 derivative asset

MnFeCo phase diagram
.html file
Phase diagram of MnFeCo; e_above_hull: 0.422177 eV/atom; predicted_stable: False
15d