@ will

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -39.1793 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

Mn2GaFeN (P4/mmm)

Mn2FeGaN (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Mn2FeGaN)

Fe2CoBN phase diagram 2

Phase diagram of Fe2CoBN; eabovehull: 0.942680 eV/atom; predicted_stable: False

Fe2CoBN (P4/mmm) 2 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -37.0232 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

Fe2CoBN (P4/mmm) 2

Fe2CoBN (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

FeCoNiB3 phase diagram

Phase diagram of FeCoNiB3; eabovehull: 1.055893 eV/atom; predicted_stable: False

FeCoNiB3 (P4mm) - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -37.0721 eV; energy change = -9.6244 eV; symmetry: P4mm → P4mm

FeCoNiB3 (P4mm)

FeCoNiB2 (space group: P4mm #99, crystal system: tetragonal, point group: 4mm) (missed expected composition: FeCoNiB2)

AlFe2Ni phase diagram 4

Phase diagram of AlFe2Ni; eabovehull: 0.112195 eV/atom; predicted_stable: False

AlFe2Ni (Pmm2) 2 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -27.2429 eV; energy change = -0.0137 eV; symmetry: Pmm2 → Pmm2

AlFe2Ni (Pmm2) 2

Fe2NiAl (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2) (missed expected composition: Fe2NiAl)

Fe2CoSiN phase diagram 2

Phase diagram of Fe2CoSiN; eabovehull: 0.400767 eV/atom; predicted_stable: False

Fe2CoSiN (P4/mmm) 2 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -38.1441 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

Fe2CoSiN (P4/mmm) 2

Fe2CoSiN (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

AlFe2CoN phase diagram 1

Phase diagram of AlFe2CoN; eabovehull: 0.351961 eV/atom; predicted_stable: False

AlFe2CoN (P4/mmm) 1 - 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) 1

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

Fe2CoBN phase diagram 1

Phase diagram of Fe2CoBN; eabovehull: 0.942691 eV/atom; predicted_stable: False

Fe2CoBN (P4/mmm) 1 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -37.0231 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

Fe2CoBN (P4/mmm) 1

Fe2CoBN (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)