Fe6BiNiS (P-6m2)
Fe6BiNiS (auto-selected space group: P-6m2 #187)
Fe6BiNiS (P-6m2) - relaxation animation 1
Video fileIonic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -44.6110 eV; energy change = -0.0702 eV; symmetry: P-6m2 → P-6m2
2moFe6BiNiS (P-6m2) - relaxation animation
Video fileCell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -49.8343 eV; energy change = -5.2936 eV; symmetry: P-6m2 → P-6m2
2mo
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