Mn2Fe6BiN (P4/mmm) - relaxation trajectory
ASE trajectory with 348 frames; Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -78.6576 eV; ΔE = -16.2654 eV; symmetry: P4/mmm → P1
Mn2Fe6BiN (P4/mmm) - relaxation trajectory – MatterViz trajectory viewer
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2moMn2Fe6BiN (P4/mmm) - geometry optimization report
postCell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -78.6576 eV; ΔE = -16.2654 eV; symmetry: P4/mmm → P1
2mo
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