Fe16N2Mn4 (space group: P321 #150)
Fe16N2Mn4 (space group: P321 #150)
Fe16N2Mn4 (requested SG: P321 #150, calculated SG: P1 #1, optimized: 200 steps)
MnFe3 (requested SG: P321 #150, calculated SG: P1 #1, optimized: 61 steps)
MnFe3 (requested SG: P23 #195, calculated SG: Pm-3m #221, optimized: 1 steps)
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -19.8076 eV; energy change = -0.1240 eV; symmetry: R3m → R3m
Crystal structure generated by TreeQuest optimization (file 6)
Phase diagram of MnFe2CoSi; eabovehull: 1.901100 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -28.1491 eV; energy change = -1.2859 eV; symmetry: P-1 → P1
Crystal structure generated by TreeQuest optimization (file 5)
Phase diagram of Mn2CoSn; eabovehull: 0.183223 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -115.3212 eV; energy change = 0.0000 eV; symmetry: Fm-3m → Fm-3m
Crystal structure generated by TreeQuest optimization (file 4)
Phase diagram of Mn4AlFe2Co2B; eabovehull: 0.330828 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -77.3930 eV; energy change = -348.5764 eV; symmetry: P4/mmm → P1
Crystal structure generated by TreeQuest optimization (file 3)
Phase diagram of Fe2CoGe; eabovehull: 0.109578 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -114.9233 eV; energy change = 0.0000 eV; symmetry: Fm-3m → Fm-3m
Crystal structure generated by TreeQuest optimization (file 2)
Phase diagram of Fe2CoSi; eabovehull: 0.215719 eV/atom; predicted_stable: False