tree-gen-6-v06.cif - relaxed

Name: tree-gen-6-v06.cif - relaxed
Creator: will
License: https://en.wikipedia.org/wiki/All_rights_reserved

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -183.6934 eV; energy change = -888.5450 eV; symmetry: I4/mmm → P1

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.cif file

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1 input asset

tree-gen-6-v06.cif
.cif file
Crystal structure generated by TreeQuest optimization (file 6)
13d

3 derivative assets

tree-gen-6-v06.cif - relaxed - relaxed
.cif file
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -185.1457 eV; energy change = -1.4536 eV; symmetry: P1 → P1
13d
tree-gen-6-v06.cif - relaxed - phonon dispersion
Image file
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -1.45 THz
13d
TiMn2Fe4Co4B phase diagram
.html file
Phase diagram of TiMn2Fe4Co4B; e_above_hull: 0.429886 eV/atom; predicted_stable: False
13d