Phase diagram of MnFeNiB; eabovehull: 0.269903 eV/atom; predicted_stable: False
Phase diagram of MnFeNiB; eabovehull: 0.270019 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -120.5864 eV; energy change = -14.7587 eV; symmetry: P4 → Pm
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -120.5858 eV; energy change = -14.7587 eV; symmetry: P4 → Pm
Crystal structure generated by GEPA optimization (iteration 2)
Crystal structure generated by GEPA optimization (iteration 1)
Phase diagram of Fe5Co2SiBN; eabovehull: 5.494917 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -52.2472 eV; energy change = 34.6179 eV; symmetry: P1 → P1
Crystal structure generated by GEPA optimization (iteration 21)
Phase diagram of Mn2Fe12SiNi2B; eabovehull: 0.129655 eV/atom; predicted_stable: False
Phase diagram of Fe20Co6SiB2N; eabovehull: 0.241697 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -143.7040 eV; energy change = -23.5480 eV; symmetry: P1 → P1
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -237.3377 eV; energy change = -35.4943 eV; symmetry: P1 → P1
Phase diagram of Fe22Co4SiB2C; eabovehull: 0.172596 eV/atom; predicted_stable: False
Crystal structure generated by GEPA optimization (iteration 20)
Crystal structure generated by GEPA optimization (iteration 19)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -241.0285 eV; energy change = -35.6297 eV; symmetry: P1 → P1
Crystal structure generated by GEPA optimization (iteration 18)
Phase diagram of Mn2Fe14SiB2C; eabovehull: 0.180856 eV/atom; predicted_stable: False
Phase diagram of Mn2Fe16SiB2C; eabovehull: 0.194330 eV/atom; predicted_stable: False