@ will

Phase diagram of NdFeB; e_above_hull: 0.228182 eV/atom; predicted_stable: False

1d

NdFeB_653

1d

VFe4SiN phase diagram 8

Phase diagram of VFe4SiN; e_above_hull: 0.681299 eV/atom; predicted_stable: False

Fe12V3Si3N3 (P1)

Fe12V3Si3N3 (requested SG: P4mm #99, calculated SG: P1 #1, optimized: 400 steps, cell relaxed (isotropic))

MnFe5SiB phase diagram 32

Phase diagram of MnFe5SiB; e_above_hull: 0.300504 eV/atom; predicted_stable: False

Fe10Mn2Si2B2 (P1) 24

Fe10Mn2Si2B2 (requested SG: P63/mmc #194, calculated SG: P1 #1, optimized: 182 steps, cell relaxed (isotropic))

Fe3NiPN phase diagram

Phase diagram of Fe3NiPN; e_above_hull: 0.415829 eV/atom; predicted_stable: False

Fe9Ni3P3N3 (P1)

Fe9Ni3P3N3 (requested SG: P4mm #99, calculated SG: P1 #1, optimized: 198 steps, cell relaxed (isotropic))

MnFe3SiB phase diagram 30

Phase diagram of MnFe3SiB; e_above_hull: 0.363378 eV/atom; predicted_stable: False

Fe9Mn3Si3B3 (P4mm)

Fe9Mn3Si3B3 (requested space group: P4mm #99, optimized: 77 steps, cell relaxed (isotropic))

Fe3NiBN phase diagram

Phase diagram of Fe3NiBN; e_above_hull: 0.473318 eV/atom; predicted_stable: False

Fe9Ni3B3N3 (P1)

Fe9Ni3B3N3 (requested SG: P-62m #189, calculated SG: P1 #1, optimized: 211 steps, cell relaxed (isotropic))

MnAlFe4N phase diagram

Phase diagram of MnAlFe4N; e_above_hull: 0.411356 eV/atom; predicted_stable: False

Fe12Mn3Al3N3 (P1)

Fe12Mn3Al3N3 (requested SG: P4mm #99, calculated SG: P1 #1, optimized: 199 steps, cell relaxed (isotropic))

MnFe5SiB phase diagram 31

Phase diagram of MnFe5SiB; e_above_hull: 0.936133 eV/atom; predicted_stable: False

Fe10Mn2Si2B2 (Pm)

Fe10Mn2Si2B2 (requested SG: P63/mmc #194, calculated SG: Pm #6, optimized: 400 steps, cell relaxed (isotropic))

TiFe4SiN phase diagram 3

Phase diagram of TiFe4SiN; e_above_hull: 0.401098 eV/atom; predicted_stable: False

Fe12Ti3Si3N3 (P1)

Fe12Ti3Si3N3 (requested SG: P4mm #99, calculated SG: P1 #1, optimized: 369 steps, cell relaxed (isotropic))