Fe3NiN (space group: Pm-3m #221, crystal system: cubic, point group: m-3m)
Phase diagram of FeNi; eabovehull: 0.085298 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -14.1948 eV; energy change = 0.0000 eV; symmetry: P-6m2 → P-6m2
FeNi (space group: P-6m2 #187, crystal system: hexagonal, point group: -6m2)
Phase diagram of Mn2Fe6SiB2; eabovehull: 0.849402 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -81.8540 eV; energy change = -13.2942 eV; symmetry: P4/mmm → P4/mmm
Fe6Mn2SiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)
Phase diagram of Fe5SiB2; eabovehull: 0.376405 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -60.9533 eV; energy change = -0.0150 eV; symmetry: P4/mmm → P4/mmm
Fe5SiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)
Phase diagram of Fe7BN; eabovehull: 0.408441 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -145.8535 eV; energy change = -28.5472 eV; symmetry: Pc → P1
Fe14B2N2 (space group: Pc #7, crystal system: monoclinic, point group: m)
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)
Fe5SiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)
Fe2NiAl (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)
Fe2AlB2 (space group: P-3m1 #164, crystal system: trigonal, point group: -3m)
Fe2CoTa (space group: Pmmm #47, crystal system: orthorhombic, point group: mmm)