@ will

Phase diagram of TiFeSiB2; eabovehull: 0.547322 eV/atom; predicted_stable: False

tree-gen-13-v11.cif - relaxed

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -73.1272 eV; energy change = -9.2003 eV; symmetry: I4/mcm → P1

tree-gen-13-v11.cif

Crystal structure generated by TreeQuest optimization (file 13)

Fe12NiB19 phase diagram

Phase diagram of Fe12NiB19; eabovehull: 0.263757 eV/atom; predicted_stable: False

tree-gen-12-v11.cif - relaxed

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -469.8118 eV; energy change = -134.6801 eV; symmetry: P6_3/mmc → P1

tree-gen-12-v11.cif

Crystal structure generated by TreeQuest optimization (file 12)

FeCoB2N phase diagram

Phase diagram of FeCoB2N; eabovehull: 0.730833 eV/atom; predicted_stable: False

tree-gen-11-v11.cif - relaxed

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -74.0445 eV; energy change = -15.6827 eV; symmetry: I4/mcm → P1

tree-gen-11-v11.cif

Crystal structure generated by TreeQuest optimization (file 11)

FeNiB4 phase diagram

Phase diagram of FeNiB4; eabovehull: 0.353296 eV/atom; predicted_stable: False

tree-gen-10-v11.cif - relaxed

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -80.1199 eV; energy change = -19.3973 eV; symmetry: I4/mcm → P1

tree-gen-10-v11.cif

Crystal structure generated by TreeQuest optimization (file 10)

Fe3Ni4BC15 phase diagram

Phase diagram of Fe3Ni4BC15; eabovehull: 0.835063 eV/atom; predicted_stable: False

tree-gen-9-v11.cif - relaxed

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -351.1605 eV; energy change = -104.5972 eV; symmetry: P4/mbm → P1

tree-gen-9-v11.cif

Crystal structure generated by TreeQuest optimization (file 9)

Fe2NiB6 phase diagram

Phase diagram of Fe2NiB6; eabovehull: 0.866520 eV/atom; predicted_stable: False

tree-gen-8-v11.cif - relaxed

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -28.5421 eV; energy change = -9.0408 eV; symmetry: P-62m → P1

tree-gen-8-v11.cif

Crystal structure generated by TreeQuest optimization (file 8)

Fe3Co(NiB3)3 phase diagram

Phase diagram of Fe3Co(NiB3)3; eabovehull: 0.310611 eV/atom; predicted_stable: False

tree-gen-7-v11.cif - relaxed

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -219.2036 eV; energy change = -41.2540 eV; symmetry: P6_3/mmc → P1