Mn2Fe6SiB (P4/mmm) - relaxed
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -76.6075 eV; energy change = -20.4829 eV; symmetry: P4/mmm → P1
Mn2Fe6SiB (P4/mmm)
.cif fileFe6Mn2SiB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe6Mn2SiB)
3moMn2Fe6SiB phase diagram
.html filePhase diagram of Mn2Fe6SiB; e_above_hull: 0.692623 eV/atom; predicted_stable: False
3mo
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