Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -454.7697 eV; energy change = -195.8571 eV; symmetry: P23 → P1
Crystal structure generated by GEPA optimization (iteration 18)
Crystal structure generated by GEPA optimization (iteration 17)
Crystal structure generated by GEPA optimization (iteration 16)
Crystal structure generated by GEPA optimization (iteration 15)
Phase diagram of MnFeSi13Ge9; eabovehull: 0.273236 eV/atom; predicted_stable: False
Phase diagram of MnFe(SiGe)11; eabovehull: 0.204576 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -250.6921 eV; energy change = -0.5623 eV; symmetry: P1 → P1
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -125.3547 eV; energy change = -2.7467 eV; symmetry: P1 → P1
Crystal structure generated by GEPA optimization (iteration 14)
Crystal structure generated by GEPA optimization (iteration 13)
Phase diagram of MnFe(SiGe)11; eabovehull: 0.532786 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -115.3789 eV; energy change = -24.8284 eV; symmetry: P1 → P1
Crystal structure generated by GEPA optimization (iteration 12)
Phase diagram of Mn3Fe3N; eabovehull: 0.069985 eV/atom; predicted_stable: False
Phase diagram of Mn2AlV; eabovehull: 0.000019 eV/atom; predicted_stable: True
Phase diagram of TiMnVCrFe; eabovehull: 5.026482 eV/atom; predicted_stable: False
Phase diagram of TiMnVCrFe; eabovehull: 5.026023 eV/atom; predicted_stable: False
Phase diagram of Mn2AlV; eabovehull: 0.000000 eV/atom; predicted_stable: True
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -122.7765 eV; energy change = -43.4026 eV; symmetry: P1 → P-1