@ all

Magnet candidate: FeCo

NbFe2Co phase diagram

Phase diagram of NbFe2Co; eabovehull: 0.093916 eV/atom; predicted_stable: False

Fe2CoW_171028.cif - relaxed

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -36.4454 eV; energy change = -74.2208 eV; symmetry: Pmmm → Pmm2

Fe2CoW_171028.cif

Magnet candidate: Fe2CoW

Fe2Co phase diagram 49

Phase diagram of Fe2Co; eabovehull: 1.030052 eV/atom; predicted_stable: False

NbFe2Co_170950.cif - relaxed

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -34.1956 eV; energy change = -73.3548 eV; symmetry: Pmmm → P4/mmm

NbFe2Co_170950.cif

Magnet candidate: NbFe2Co

Fe2Co_170926.cif - relaxed

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -21.0716 eV; energy change = -9.8827 eV; symmetry: Pmm2 → Pmm2

Fe2Co_170926.cif

Magnet candidate: Fe2Co

VFe2CoMo phase diagram 14

Phase diagram of VFe2CoMo; eabovehull: 0.138612 eV/atom; predicted_stable: False

FeCo phase diagram 24

Phase diagram of FeCo; eabovehull: 0.836371 eV/atom; predicted_stable: False

VFe2CoMo_170832.cif - relaxed

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -43.8197 eV; energy change = -51.8243 eV; symmetry: P1 → Cm

VFe2CoMo_170832.cif

Magnet candidate: VFe2CoMo

FeCo_170823.cif - relaxed

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -13.9941 eV; energy change = -3.8104 eV; symmetry: P4/mmm → P4/mmm

FeCo_170823.cif

Magnet candidate: FeCo

FeCo phase diagram 23

Phase diagram of FeCo; eabovehull: 0.836379 eV/atom; predicted_stable: False

FeCo_170737.cif - relaxed

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -13.9942 eV; energy change = -3.8104 eV; symmetry: P4/mmm → P4/mmm

Fe2Co phase diagram 48

Phase diagram of Fe2Co; eabovehull: 0.040951 eV/atom; predicted_stable: False

FeCo_170737.cif

Magnet candidate: FeCo

Fe2CoW phase diagram 5

Phase diagram of Fe2CoW; eabovehull: 0.058763 eV/atom; predicted_stable: False