@ will

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -35.9395 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

GaFe2CoN (P4/mmm)

Fe2CoGaN (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2CoGaN)

Fe3CoCN3 (Pm-3m) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -60.9546 eV; energy change = 0.0000 eV; symmetry: Pm-3m → Pm-3m

Fe3CoCN3 (Pm-3m)

Fe3CoNC (space group: Pm-3m #221, crystal system: cubic, point group: m-3m) (missed expected composition: Fe3CoNC)

AlFe2CoN phase diagram

Phase diagram of AlFe2CoN; eabovehull: 0.351969 eV/atom; predicted_stable: False

AlFe2CoN (P4/mmm) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -37.2739 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

AlFe2CoN (P4/mmm)

Fe2CoAlN (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2CoAlN)

MnFe2CoN phase diagram

Phase diagram of MnFe2CoN; eabovehull: 0.160893 eV/atom; predicted_stable: False

MnFe2CoN (P4/mmm) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -41.3847 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

MnFe2CoN (P4/mmm)

Fe2MnCoN (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2MnCoN)

Fe2CoSi phase diagram 4

Phase diagram of Fe2CoSi; eabovehull: 0.172321 eV/atom; predicted_stable: False

Fe2CoSi (Pmm2) 4 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -30.1488 eV; energy change = -0.0290 eV; symmetry: Pmm2 → Pmm2

Fe2CoSi (Pmm2) 4

Fe2CoSi (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

FeCo2Si phase diagram 3

Phase diagram of FeCo2Si; eabovehull: 0.163155 eV/atom; predicted_stable: False

FeCo2Si (Pmm2) 1 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -28.8715 eV; energy change = -0.0008 eV; symmetry: Pmm2 → Pmm2

FeCo2Si (Pmm2) 1

Co2FeSi (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2) (missed expected composition: Co2FeSi)

MnAlFe2 phase diagram 1

Phase diagram of MnAlFe2; eabovehull: 0.090195 eV/atom; predicted_stable: False

MnAlFe2 (Pmm2) 1 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -30.1205 eV; energy change = -0.0098 eV; symmetry: Pmm2 → Pmm2

MnAlFe2 (Pmm2) 1

Fe2MnAl (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2) (missed expected composition: Fe2MnAl)

Fe2CoSiB phase diagram 2

Phase diagram of Fe2CoSiB; eabovehull: 1.178378 eV/atom; predicted_stable: False