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@will

magnet enjoyer

5450 XPLevel 55
5 followers1 following
4.97K files0 datasets1 services

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Fe2Co phase diagram 14

.html

Phase diagram of Fe2Co; eabovehull: 0.817919 eV/atom; predicted_stable: False

3mo

Fe2Co_162917.cif

.cif

Magnet candidate: Fe2Co

3mo

Fe2CoW phase diagram 2

.html

Phase diagram of Fe2CoW; eabovehull: 0.173133 eV/atom; predicted_stable: False

3mo

Fe2Co_162844.cif - relaxed

.cif

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -21.7080 eV; energy change = -20.8044 eV; symmetry: Pmmm → Pmmm

3mo

Fe2CoW_162836.cif - relaxed

.cif

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -36.4456 eV; energy change = -74.2198 eV; symmetry: Pmmm → Pmm2

3mo

Fe2Co_162844.cif

.cif

Magnet candidate: Fe2Co

3mo

TiFe2CoW phase diagram 6

.html

Phase diagram of TiFe2CoW; eabovehull: 0.174441 eV/atom; predicted_stable: False

3mo

Fe2CoW_162836.cif

.cif

Magnet candidate: Fe2CoW

3mo

TiFe2CoW_162759.cif - relaxed

.cif

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -44.9681 eV; energy change = -59.2078 eV; symmetry: P1 → Cm

3mo

TiFe2CoW_162759.cif

.cif

Magnet candidate: TiFe2CoW

3mo

Fe3CoW phase diagram

.html

Phase diagram of Fe3CoW; eabovehull: 0.401554 eV/atom; predicted_stable: False

3mo

VFe2CoMo phase diagram 11

.html

Phase diagram of VFe2CoMo; eabovehull: 0.138589 eV/atom; predicted_stable: False

3mo

Fe3CoW_162723.cif - relaxed

.cif

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -43.6093 eV; energy change = -15.9559 eV; symmetry: Amm2 → Amm2

3mo

Fe3CoW_162723.cif

.cif

Magnet candidate: Fe3CoW

3mo

VFe2CoMo_162705.cif - relaxed

.cif

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -43.8198 eV; energy change = -51.8258 eV; symmetry: P1 → Cm

3mo

VFe2CoMo_162705.cif

.cif

Magnet candidate: VFe2CoMo

3mo

VFe2CoMo phase diagram 10

.html

Phase diagram of VFe2CoMo; eabovehull: 0.144141 eV/atom; predicted_stable: False

3mo

TiFe2Co phase diagram 3

.html

Phase diagram of TiFe2Co; eabovehull: 0.128370 eV/atom; predicted_stable: False

3mo

VFe2CoMo_162620.cif - relaxed

.cif

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -43.7924 eV; energy change = -51.7971 eV; symmetry: P1 → Cm

3mo

VFe2CoMo_162620.cif

.cif

Magnet candidate: VFe2CoMo

3mo
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