@ all

Magnet candidate: VFeCo

NbFeCo phase diagram 1

Phase diagram of NbFeCo; eabovehull: 5.776431 eV/atom; predicted_stable: False

NbFeCo_164558.cif - relaxed

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -8.7518 eV; energy change = 4.9202 eV; symmetry: P3m1 → P3m1

Fe2Co_164557.cif - relaxed

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.1524 eV; energy change = -23.2488 eV; symmetry: Pmmm → I4/mmm

NbFeCo_164558.cif

Magnet candidate: NbFeCo

Fe2Co_164557.cif

Magnet candidate: Fe2Co

TiFeCo phase diagram 6

Phase diagram of TiFeCo; eabovehull: 0.097248 eV/atom; predicted_stable: False

TiFeCo_164515.cif - relaxed

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.0678 eV; energy change = -4.7217 eV; symmetry: Pmm2 → I4mm

TiFeCo_164515.cif

Magnet candidate: TiFeCo

TiFeCo phase diagram 5

Phase diagram of TiFeCo; eabovehull: 5.432061 eV/atom; predicted_stable: False

TiFeCo_164435.cif - relaxed

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -8.0638 eV; energy change = 5.3787 eV; symmetry: P3m1 → P3m1

Fe2Co phase diagram 27

Phase diagram of Fe2Co; eabovehull: 0.026292 eV/atom; predicted_stable: False

TiFeCo_164435.cif

Magnet candidate: TiFeCo

TiFeCo phase diagram 4

Phase diagram of TiFeCo; eabovehull: 5.432069 eV/atom; predicted_stable: False

TiFeCo_164352.cif - relaxed

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -8.0638 eV; energy change = 5.3787 eV; symmetry: P3m1 → P3m1

Fe2Co_164341.cif - relaxed

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.0828 eV; energy change = -23.1792 eV; symmetry: Pmmm → P-3m1

TiFeCo_164352.cif

Magnet candidate: TiFeCo

VFe3Co phase diagram 2

Phase diagram of VFe3Co; eabovehull: 0.013097 eV/atom; predicted_stable: True

Fe2Co_164341.cif

Magnet candidate: Fe2Co

Fe2Co phase diagram 26

Phase diagram of Fe2Co; eabovehull: 0.040908 eV/atom; predicted_stable: False