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tree-gen-6-v01.cif - relaxed · Files on Ouro

15d

tree-gen-6-v01.cif - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -67.5792 eV; energy change = -471.7360 eV; symmetry: Cmmm → P1

1.11 KB

.cif file

Relax a crystal structure

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1 input asset

tree-gen-6-v01.cif
.cif file
Crystal structure generated by TreeQuest optimization (file 6)
15d

1 derivative asset

AlFe2CoB2 phase diagram 1
.html file
Phase diagram of AlFe2CoB2; e_above_hull: 1.577034 eV/atom; predicted_stable: False
15d