Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -33.3071 eV; energy change = -14.7022 eV; symmetry: P4/mmm → P1
Crystal structure generated by TreeQuest optimization (file 5)
Phase diagram of MnAlFeCoN2; eabovehull: 1.196386 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -41.3869 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm
Crystal structure generated by TreeQuest optimization (file 4)
Phase diagram of Mn2Al2FeCo2N; eabovehull: 40.428169 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = 524.9666 eV; energy change = -4.8724 eV; symmetry: I4/mmm → I4/mmm
Crystal structure generated by TreeQuest optimization (file 3)
Phase diagram of Mn2Al2FeCoN2; eabovehull: 0.687513 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -116.4741 eV; energy change = -214.3601 eV; symmetry: I4/mmm → P1
Crystal structure generated by TreeQuest optimization (file 2)
Phase diagram of Ti2FeCo(NiB)2; eabovehull: 4.052156 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -57.3956 eV; energy change = -230.7343 eV; symmetry: I4/mmm → P1
Crystal structure generated by TreeQuest optimization (file 1)
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -220.9030 eV; energy change = -0.0011 eV; symmetry: P1 → P1
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -222.8582 eV; energy change = -216.3565 eV; symmetry: F-43m → P1
Phase diagram of GdFeCoNiN4; eabovehull: 2.115196 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -220.9043 eV; energy change = -214.4013 eV; symmetry: F-43m → P1
Crystal structure generated by TreeQuest optimization (file 6)
Phase diagram of MnAlFeCo4N; eabovehull: 3.015061 eV/atom; predicted_stable: False