Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -156.2445 eV; energy change = -224.3877 eV; symmetry: P1 → P1
Fe14Ni2N2 (space group: P1 #1, crystal system: triclinic, point group: 1) (missed expected composition: Fe14Ni2N2)
Phase diagram of Fe3NiN; e_above_hull: 0.039367 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -39.6944 eV; energy change = 0.0000 eV; symmetry: Pm-3m → Pm-3m
Fe3NiN (space group: Pm-3m #221, crystal system: cubic, point group: m-3m)
Phase diagram of Fe4N; e_above_hull: 0.047632 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -42.2029 eV; energy change = 0.0000 eV; symmetry: Pm-3m → Pm-3m
Fe4N (space group: Pm-3m #221, crystal system: cubic, point group: m-3m)
Phase diagram of Fe2NiB; e_above_hull: 0.396706 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -28.8094 eV; energy change = -0.1259 eV; symmetry: Pmm2 → Pmm2
Fe2NiB (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)
Phase diagram of Fe5B2P; e_above_hull: 0.400274 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -60.9998 eV; energy change = -0.0498 eV; symmetry: P4/mmm → P4/mmm
Fe5PB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe5PB2)
Phase diagram of Fe5SiB2; e_above_hull: 0.376478 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -60.9525 eV; energy change = -0.0136 eV; symmetry: P4/mmm → P4/mmm
Fe5SiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)
Phase diagram of GaFe2Ni; e_above_hull: 0.090644 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -26.1274 eV; energy change = -0.0470 eV; symmetry: Pmm2 → Pmm2
Fe2NiGa (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2) (missed expected composition: Fe2NiGa)