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tree-gen-3-v07.cif - relaxed · Files on Ouro

13d

tree-gen-3-v07.cif - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -16.1367 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

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.cif file

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Relax a crystal structure

1 input asset

tree-gen-3-v07.cif
.cif file
Crystal structure generated by TreeQuest optimization (file 3)
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1 derivative asset

AlFeCo2NiN phase diagram
.html file
Phase diagram of AlFeCo2NiN; e_above_hull: 4.558193 eV/atom; predicted_stable: False
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