Crystal structure generated by TreeQuest optimization (file 7)
Phase diagram of Fe2Co2Si3BC18; eabovehull: 1.030998 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -394.7677 eV; energy change = -336.2168 eV; symmetry: P6_3/mmc → P1
Crystal structure generated by TreeQuest optimization (file 6)
Phase diagram of FeCoB2C; eabovehull: 0.480088 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -74.5134 eV; energy change = -15.3474 eV; symmetry: I4/mcm → P1
Crystal structure generated by TreeQuest optimization (file 5)
Phase diagram of Fe2Co2B(CN6)3; eabovehull: 0.795893 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -391.4748 eV; energy change = -115.2062 eV; symmetry: P6_3/mmc → P1
Crystal structure generated by TreeQuest optimization (file 4)
Phase diagram of Fe2Ni2B; eabovehull: 0.859322 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -22.7559 eV; energy change = -4.9019 eV; symmetry: P4/mmm → P1
Crystal structure generated by TreeQuest optimization (file 3)
Phase diagram of FeCoSiB2; eabovehull: 0.186866 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -70.8880 eV; energy change = -12.2290 eV; symmetry: I4/mcm → P1
Crystal structure generated by TreeQuest optimization (file 2)
Phase diagram of Fe2CoNiC6; eabovehull: 0.741282 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -311.7322 eV; energy change = -78.2176 eV; symmetry: P6_3/mmc → P1
Crystal structure generated by TreeQuest optimization (file 1)
Phase diagram of FeCoB2; eabovehull: 0.216548 eV/atom; predicted_stable: False