Mn2Fe2NiBi (P4/mmm) - relaxed

Name: Mn2Fe2NiBi (P4/mmm) - relaxed
Creator: mmoderwell
License: https://en.wikipedia.org/wiki/All_rights_reserved

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = 11.3740 eV; energy change = -15.8014 eV; symmetry: P4/mmm → P4/mmm

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897.00 B

.cif file

1 input asset

Mn2Fe2NiBi (P4/mmm)
.cif file
Fe2Mn2BiNi (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2Mn2BiNi)
3mo

3 derivative assets

Mn2Fe2NiBi (P4/mmm) - relaxed - 2x2x2 supercell
.cif file
Supercell 2x2x2 of Mn2Fe2NiBi (Space group: Pm, 16 symmetry operations)
3mo
Mn2Fe2NiBi phase diagram
.html file
Phase diagram of Mn2Fe2NiBi; e_above_hull: 9.383038 eV/atom; predicted_stable: False
3mo
Mn2Fe2NiBi (P4/mmm) - relaxed - phonon dispersion
Image file
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -18.45 THz
3mo

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