Mn2Fe3BiN2 (P1) - relaxed
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -63.0155 eV; energy change = -0.0977 eV; symmetry: P4mm → P4mm
Mn2Fe3BiN2 (P1)
.cif fileMatterGen generated Mn2Fe3BiN2 crystal (space group: P1 #1, crystal system: triclinic)
2moMn2Fe3BiN2 phase diagram
.html filePhase diagram of Mn2Fe3BiN2; e_above_hull: 0.293858 eV/atom; predicted_stable: False
2moMn2Fe3BiN2 (P1) - relaxed - phonon dispersion
Image filePhonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -2.72 THz
2mo
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