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tree-gen-7-v06.cif - relaxed · Files on Ouro

13d

tree-gen-7-v06.cif - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -141.2709 eV; energy change = -10.1124 eV; symmetry: I4/mmm → Pm

1.45 KB

.cif file

Relax a crystal structure

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1 input asset

tree-gen-7-v06.cif
.cif file
Crystal structure generated by TreeQuest optimization (file 7)
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1 derivative asset

Mn2FeCo(NiB2)2 phase diagram
.html file
Phase diagram of Mn2FeCo(NiB2)2; e_above_hull: 0.522823 eV/atom; predicted_stable: False
13d