Fe2NiMn (Pmm2) - relaxed - doped B 2.0%

Name: Fe2NiMn (Pmm2) - relaxed - doped B 2.0%
Creator: mmoderwell
License: https://en.wikipedia.org/wiki/All_rights_reserved

Interstitially doped with B at ~2.0%; supercell [3, 3, 3]; dopant atoms = 2

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.cif file

1 input asset

Fe2NiMn (Pmm2) - relaxed
.cif file
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -31.6444 eV; energy change = -0.0024 eV; symmetry: Pmm2 → Pmm2
29d

2 derivative assets

Fe2NiMn (Pmm2) - relaxed - doped B 2.0% - relaxed 1
.cif file
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -867.4086 eV; energy change = -10.9891 eV; symmetry: P1 → P1
6d
Fe2NiMn (Pmm2) - relaxed - doped B 2.0% - relaxed
.cif file
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -866.6165 eV; energy change = -10.1969 eV; symmetry: P1 → P1
18d

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