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
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -129.5889 eV; energy change = -1.8016 eV; symmetry: R3m → Fm-3m
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -40.8631 eV; energy change = 7.9260 eV; symmetry: P-1 → P1
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -42.9208 eV; energy change = 5.8683 eV; symmetry: P-1 → P1
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -129.5883 eV; energy change = -1.8011 eV; symmetry: R3m → Fm-3m
Crystal structure generated by GEPA optimization (iteration 11)
Crystal structure generated by GEPA optimization (iteration 9)
Crystal structure generated by GEPA optimization (iteration 10)
Crystal structure generated by GEPA optimization (iteration 8)
Crystal structure generated by GEPA optimization (iteration 7)
Phase diagram of MnFe(Si4Ge)6; eabovehull: 0.206201 eV/atom; predicted_stable: False
Phase diagram of MnFe(Si4Ge)6; eabovehull: 0.206201 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -342.1569 eV; energy change = -0.9922 eV; symmetry: P1 → P1
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -342.1566 eV; energy change = -0.9924 eV; symmetry: P1 → P1
Phase diagram of MnFe(SiGe)15; eabovehull: 0.166005 eV/atom; predicted_stable: False