Phase diagram of MnFe4BN; eabovehull: 0.424814 eV/atom; predicted_stable: False
Crystal structure generated by GEPA optimization (iteration 4)
Phase diagram of MnFe4BN; eabovehull: 0.370396 eV/atom; predicted_stable: False
Crystal structure generated by GEPA optimization (iteration 3)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -114.8753 eV; energy change = -49.9643 eV; symmetry: P-1 → P1
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -115.6400 eV; energy change = -50.7289 eV; symmetry: P-1 → P-1
Crystal structure generated by GEPA optimization (iteration 2)
Crystal structure generated by GEPA optimization (iteration 1)
Phase diagram of CrFe3N; eabovehull: 0.140243 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -43.5861 eV; energy change = -0.4593 eV; symmetry: P1 → P4/mmm
Crystal structure generated by GEPA optimization (iteration 24)
Phase diagram of Fe3BN; eabovehull: 1.187436 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -139.8431 eV; energy change = -28.1355 eV; symmetry: P4 → P2
Crystal structure generated by GEPA optimization (iteration 23)
Phase diagram of MnFe5N2; eabovehull: 0.329341 eV/atom; predicted_stable: False
Phase diagram of Fe6BN; eabovehull: 0.327270 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -265.3222 eV; energy change = -47.5424 eV; symmetry: P4 → P1
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -262.2099 eV; energy change = -65.1517 eV; symmetry: P4 → P1
Crystal structure generated by GEPA optimization (iteration 22)
Crystal structure generated by GEPA optimization (iteration 21)