4mo

Mag Density 0.15 gen_1 - relaxed - 3x3x3 supercell

Name: Mag Density 0.15 gen_1 - relaxed - 3x3x3 supercell
Creator: mmoderwell
License: https://en.wikipedia.org/wiki/All_rights_reserved

Supercell 3x3x3 of Fe3Ir (Space group: R-3m, 972 symmetry operations)

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.cif file

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Mag Density 0.15 gen_1 - relaxed
.cif file
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -100.8543 eV; energy change = 0.0000 eV; symmetry: R-3m → R-3m
4mo

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