Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -88.2593 eV; energy change = -15.9602 eV; symmetry: P1 → P1
Crystal structure generated by GEPA optimization (iteration 25)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -79.9534 eV; energy change = -17.8352 eV; symmetry: P1 → P1
Crystal structure generated by GEPA optimization (iteration 24)
Phase diagram of Fe9B2N; eabovehull: 0.313249 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -97.3744 eV; energy change = -19.7496 eV; symmetry: P1 → P1
Phase diagram of Fe8CoB2N; eabovehull: 0.367693 eV/atom; predicted_stable: False
Phase diagram of Fe8CoB2N; eabovehull: 0.367652 eV/atom; predicted_stable: False
Crystal structure generated by GEPA optimization (iteration 23)
Phase diagram of Fe9CoB2; eabovehull: 0.084653 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -95.6674 eV; energy change = -19.6814 eV; symmetry: P1 → P1
Crystal structure generated by GEPA optimization (iteration 22)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -95.6675 eV; energy change = -19.6815 eV; symmetry: P1 → P1
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -97.5761 eV; energy change = -17.4514 eV; symmetry: P1 → P1
Phase diagram of MnFe9BN; eabovehull: 0.249382 eV/atom; predicted_stable: False
Crystal structure generated by GEPA optimization (iteration 21)
Crystal structure generated by GEPA optimization (iteration 20)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -99.5837 eV; energy change = -16.0551 eV; symmetry: P1 → P1
Crystal structure generated by GEPA optimization (iteration 19)
Phase diagram of MnFe8B2N; eabovehull: 0.208277 eV/atom; predicted_stable: False