Fe2MnAlB2 (space group: P4mm #99, crystal system: tetragonal, point group: 4mm) (missed expected composition: Fe2MnAlB2)
Phase diagram of MnFe7N; eabovehull: 0.985537 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -136.5021 eV; energy change = -24.8923 eV; symmetry: P63/mmc → P63/mmc
Fe14Mn2N2 (space group: P6_3/mmc #194, crystal system: hexagonal, point group: 6/mmm) (missed expected composition: Fe14Mn2N2)
Phase diagram of Fe2SiNiB; eabovehull: 1.075138 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -31.5872 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm
Fe2NiSiB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2NiSiB)
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -10.4390 eV; energy change = -2.1455 eV; symmetry: P-6m2 → P-6m2
FeNiMnAlB2 (space group: P-6m2 #187, crystal system: hexagonal, point group: -6m2) (missed expected composition: FeNiMnAlB2)
Phase diagram of Fe8N; eabovehull: 1.507782 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -125.2039 eV; energy change = -0.2048 eV; symmetry: P63/mmc → P63/mmc
Fe16N2 (space group: P6_3/mmc #194, crystal system: hexagonal, point group: 6/mmm)
Phase diagram of MnFe4NiB2; eabovehull: 0.444255 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -60.7034 eV; energy change = -0.0001 eV; symmetry: P4/mmm → P4/mmm
Fe4MnNiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)
Phase diagram of MnCr(Fe2B)2; eabovehull: 0.353456 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -65.2168 eV; energy change = -0.0457 eV; symmetry: P4/mmm → P4/mmm
Fe4MnCrB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)
Phase diagram of MnFe3SiB2; eabovehull: 0.551054 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -52.3608 eV; energy change = -3.3741 eV; symmetry: Pm → Pm