Fe12Mn2Bi2 (P6_3/mcm) - relaxed

Name: Fe12Mn2Bi2 (P6_3/mcm) - relaxed
Creator: mmoderwell
License: https://en.wikipedia.org/wiki/All_rights_reserved

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -120.9075 eV; energy change = -5.3126 eV; symmetry: P6_3/mcm → C2/m

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.cif file

1 input asset

Fe12Mn2Bi2 (P6_3/mcm)
.cif file
Fe12Mn2Bi2 (auto-selected space group: P6_3/mcm #193)
2mo

2 derivative assets

Fe12Mn2Bi2 (P6_3/mcm) - relaxed - phonon dispersion
Image file
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -2.46 THz
2mo
MnFe6Bi phase diagram 1
.html file
Phase diagram of MnFe6Bi; e_above_hull: 0.392019 eV/atom; predicted_stable: False
2mo

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