3mo

Bi4Fe14S_215_1 - relaxed

Name: Bi4Fe14S_215_1 - relaxed
Creator: mmoderwell
License: https://en.wikipedia.org/wiki/All_rights_reserved

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -126.4532 eV; energy change = -130.5614 eV; symmetry: P-43m → R3

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.cif file

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2 derivative assets

Bi4Fe14S_215_1 - relaxed - phonon dispersion
Image file
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å)
3mo
Fe14Bi4S phase diagram 2
.html file
Phase diagram of Fe14Bi4S; e_above_hull: 0.649003 eV/atom; predicted_stable: False
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