Phase diagram of Fe2SiNi; e_above_hull: 0.178304 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -28.8504 eV; energy change = -0.0859 eV; symmetry: Pmm2 → Pmm2
Fe2NiSi (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2) (missed expected composition: Fe2NiSi)
Phase diagram of Fe4SiNiB2; e_above_hull: 0.425550 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -58.0937 eV; energy change = -0.0709 eV; symmetry: P4/mmm → P4/mmm
Fe4NiSiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe4NiSiB2)
Phase diagram of Fe5SiB2; e_above_hull: 0.376495 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -60.9532 eV; energy change = -0.0144 eV; symmetry: P4/mmm → P4/mmm
Fe5SiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)
Phase diagram of Fe5SiB2; e_above_hull: 0.376499 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -60.9532 eV; energy change = -0.0143 eV; symmetry: P4/mmm → P4/mmm
Fe5SiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)
Phase diagram of AlFe2Ni; e_above_hull: 0.112163 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -27.2434 eV; energy change = -0.0141 eV; symmetry: Pmm2 → Pmm2
Fe2NiAl (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2) (missed expected composition: Fe2NiAl)
Phase diagram of Fe2NiB; e_above_hull: 0.396670 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -28.8092 eV; energy change = -0.1256 eV; symmetry: Pmm2 → Pmm2
Fe2NiB (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)
Phase diagram of Fe8N; e_above_hull: 1.507826 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -125.2035 eV; energy change = -0.2050 eV; symmetry: P6_3/mmc → P6_3/mmc