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Mn9Fe4Bi4N3 (P1) - relaxed

Name: Mn9Fe4Bi4N3 (P1) - 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 = -152.6010 eV; energy change = -5.4313 eV; symmetry: R3m → P1

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.cif file

1 input asset

Mn9Fe4Bi4N3 (P1)
.cif file
MatterGen generated Mn9Fe4Bi4N3 crystal (space group: P1 #1, crystal system: triclinic)
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2 derivative assets

Mn9Fe4Bi4N3 phase diagram
.html file
Phase diagram of Mn9Fe4Bi4N3; e_above_hull: 0.320713 eV/atom; predicted_stable: False
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Mn9Fe4Bi4N3 (P1) - relaxed - phonon dispersion
Image file
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.08 THz
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