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@will

magnet enjoyer

5450 XPLevel 55
5 followers1 following
4.97K files0 datasets1 services

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4923 total

FeCo phase diagram 40

.html

Phase diagram of FeCo; eabovehull: 0.836367 eV/atom; predicted_stable: False

3mo

FeCo_173706.cif

.cif

Magnet candidate: FeCo

3mo

FeCo phase diagram 39

.html

Phase diagram of FeCo; eabovehull: 0.836460 eV/atom; predicted_stable: False

3mo

FeCo_173627.cif - relaxed

.cif

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -13.9941 eV; energy change = -3.8103 eV; symmetry: P4/mmm → P4/mmm

3mo

FeCo_173627.cif

.cif

Magnet candidate: FeCo

3mo

FeCo_173610.cif - relaxed

.cif

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -13.9942 eV; energy change = -3.9355 eV; symmetry: P4/mmm → P4/mmm

3mo

TiFeCo phase diagram 13

.html

Phase diagram of TiFeCo; eabovehull: 0.097279 eV/atom; predicted_stable: False

3mo

FeCo_173610.cif

.cif

Magnet candidate: FeCo

3mo

FeCo phase diagram 38

.html

Phase diagram of FeCo; eabovehull: 0.836408 eV/atom; predicted_stable: False

3mo

TiFeCo_173531.cif - relaxed

.cif

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

3mo

TiFeCo_173531.cif

.cif

Magnet candidate: TiFeCo

3mo

FeCo_173527.cif - relaxed

.cif

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -13.9939 eV; energy change = -3.8101 eV; symmetry: P4/mmm → P4/mmm

3mo

FeCo_173527.cif

.cif

Magnet candidate: FeCo

3mo

FeCo phase diagram 37

.html

Phase diagram of FeCo; eabovehull: 0.142443 eV/atom; predicted_stable: False

3mo

FeCo_173445.cif - relaxed

.cif

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -15.3823 eV; energy change = -6.7005 eV; symmetry: P3m1 → P-6m2

3mo

Fe2Co phase diagram 72

.html

Phase diagram of Fe2Co; eabovehull: 0.657101 eV/atom; predicted_stable: False

3mo

FeCo_173445.cif

.cif

Magnet candidate: FeCo

3mo

Fe2Co_173354.cif - relaxed

.cif

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -22.1914 eV; energy change = -3.2075 eV; symmetry: Pmm2 → Pmm2

3mo

FeCo phase diagram 36

.html

Phase diagram of FeCo; eabovehull: 0.836442 eV/atom; predicted_stable: False

3mo

Fe2Co_173354.cif

.cif

Magnet candidate: Fe2Co

3mo
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