@ will

Phase diagram of MnFe2NiB; e_above_hull: 1.133731 eV/atom; predicted_stable: False

MnFe2NiB (P4/mmm) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -34.0579 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

MnFe2NiB (P4/mmm)

Fe2MnNiB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2MnNiB)

MnAl(FeB)2 (P4mm) 4

Fe2MnAlB2 (space group: P4mm #99, crystal system: tetragonal, point group: 4mm) (missed expected composition: Fe2MnAlB2)

Fe2B phase diagram 3

Phase diagram of Fe2B; e_above_hull: 0.334329 eV/atom; predicted_stable: False

Fe2B (P-3m1) 3 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -23.5281 eV; energy change = -0.0667 eV; symmetry: P-3m1 → P-3m1

Fe2B (P-3m1) 3

Fe2B (space group: P-3m1 #164, crystal system: trigonal, point group: -3m)

MnAlFe2B phase diagram 5

Phase diagram of MnAlFe2B; e_above_hull: 0.245243 eV/atom; predicted_stable: False

MnAlFe2B (P4/mmm) 3 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -36.9687 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

MnAlFe2B (P4/mmm) 3

Fe2MnAlB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2MnAlB)

MnAlFe2B phase diagram 4

Phase diagram of MnAlFe2B; e_above_hull: 0.245229 eV/atom; predicted_stable: False

MnAlFe2B (P4/mmm) 2 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -36.9688 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

MnAlFe2B (P4/mmm) 2

Fe2MnAlB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2MnAlB)

MnAlFeSi phase diagram

Phase diagram of MnAlFeSi; e_above_hull: 2.444118 eV/atom; predicted_stable: False

MnAlFeSi (P4mm) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -18.6296 eV; energy change = -0.1006 eV; symmetry: P4mm → P4mm

MnAlFeSi (P4mm)

FeMnAlSi (space group: P4mm #99, crystal system: tetragonal, point group: 4mm) (missed expected composition: FeMnAlSi)

Fe5Si(NiN)2 phase diagram

Phase diagram of Fe5Si(NiN)2; e_above_hull: 0.577460 eV/atom; predicted_stable: False

Fe5Si(NiN)2 (P-4m2) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = 195.8108 eV; energy change = -41498.1736 eV; symmetry: P-4m2 → P1

Fe5Si(NiN)2 (P-4m2)

Fe8Ni2SiN2 (space group: P-4m2 #115, crystal system: tetragonal, point group: -42m) (missed expected composition: Fe8Ni2SiN2)

MnAlFe2N phase diagram

Phase diagram of MnAlFe2N; e_above_hull: 0.511286 eV/atom; predicted_stable: False