Crystal structure generated by GEPA optimization (iteration 5)
Crystal structure generated by GEPA optimization (iteration 4)
Crystal structure generated by GEPA optimization (iteration 3)
Phase diagram of MnFeNiB; eabovehull: 0.447812 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -117.7422 eV; energy change = -11.9147 eV; symmetry: P4 → P4bm
Crystal structure generated by GEPA optimization (iteration 2)
Phase diagram of MnFeNiB; eabovehull: 0.279613 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -120.4315 eV; energy change = -14.6041 eV; symmetry: P4 → P1
Crystal structure generated by GEPA optimization (iteration 1)
Phase diagram of MnFeNiB; eabovehull: 0.207466 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -121.5865 eV; energy change = -15.7594 eV; symmetry: P4 → P4mm
Crystal structure generated by GEPA optimization (iteration 5)
Phase diagram of MnFe3NiB; eabovehull: 0.214040 eV/atom; predicted_stable: False
Phase diagram of MnFe2SiB; eabovehull: 0.281407 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -187.4995 eV; energy change = -58.4393 eV; symmetry: P4 → P1
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -155.4034 eV; energy change = -26.8804 eV; symmetry: P4 → P1
Crystal structure generated by GEPA optimization (iteration 4)
Crystal structure generated by GEPA optimization (iteration 3)
Phase diagram of MnFeNiB; eabovehull: 0.269903 eV/atom; predicted_stable: False
Phase diagram of MnFeNiB; eabovehull: 0.270019 eV/atom; predicted_stable: False