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tree-gen-4-v02.cif - relaxed · Files on Ouro

15d

tree-gen-4-v02.cif - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -207.5392 eV; energy change = -850.0231 eV; symmetry: I4/mmm → Pc

1.69 KB

.cif file

Relax a crystal structure

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1 input asset

tree-gen-4-v02.cif
.cif file
Crystal structure generated by TreeQuest optimization (file 4)
15d

1 derivative asset

ZrFe8(CoN)2 phase diagram
.html file
Phase diagram of ZrFe8(CoN)2; e_above_hull: 0.558422 eV/atom; predicted_stable: False
15d