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@will

magnet enjoyer

5450 XPLevel 55
5 followers1 following
4.97K files0 datasets1 services

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4923 total

Fe2AlB2 (P-3m1)

.cif

Fe2AlB2 (space group: P-3m1 #164, crystal system: trigonal, point group: -3m)

9mo

Fe2CoTa (Pmmm) 1

.cif

Fe2CoTa (space group: Pmmm #47, crystal system: orthorhombic, point group: mmm)

9mo

FeCoNiPt phase diagram 2

.html

Phase diagram of FeCoNiPt; eabovehull: 0.000000 eV/atom; predicted_stable: True

9mo

FeCoNiPt phase diagram 1

.html

Phase diagram of FeCoNiPt; eabovehull: 0.000000 eV/atom; predicted_stable: True

9mo

Fe4CoNiP2 phase diagram

.html

Phase diagram of Fe4CoNiP2; eabovehull: 0.398515 eV/atom; predicted_stable: False

9mo

Fe4CoNiP2 (Pm) - relaxed

.cif

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -57.5110 eV; energy change = -0.5353 eV; symmetry: Pm → Pm

9mo

Fe4CoNiP2 (Pm)

.cif

Fe4CoNiP2 (space group: Pm #6, crystal system: monoclinic, point group: m)

9mo

AlFeCoNi phase diagram 2

.html

Phase diagram of AlFeCoNi; eabovehull: 0.687361 eV/atom; predicted_stable: False

9mo

FeCoNiAl (P4mm) 2 - relaxed

.cif

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -23.8257 eV; energy change = -0.5630 eV; symmetry: P4mm → P4mm

9mo

FeCoNiAl (P4mm) 2

.cif

FeCoNiAl (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)

9mo

AlFe2CoSi phase diagram

.html

Phase diagram of AlFe2CoSi; eabovehull: 16.183989 eV/atom; predicted_stable: False

9mo

Fe2CoAlSi (P4mm) - relaxed

.cif

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = 163.4297 eV; energy change = -12314.2383 eV; symmetry: P4mm → P1

9mo

Fe2CoAlSi (P4mm)

.cif

Fe2CoAlSi (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)

9mo

TaFeCoB phase diagram

.html

Phase diagram of TaFeCoB; eabovehull: 5.575696 eV/atom; predicted_stable: False

9mo

FeCoTaB (P4/mmm) - relaxed

.cif

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -13.7075 eV; energy change = -0.0001 eV; symmetry: P4/mmm → P4/mmm

9mo

FeCoTaB (P4/mmm)

.cif

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

9mo

Fe12Co2BN phase diagram

.html

Phase diagram of Fe12Co2BN; eabovehull: 1.983509 eV/atom; predicted_stable: False

9mo

Fe12Co2BN (P4/mmm) - relaxed

.cif

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -101.7875 eV; energy change = -47.0249 eV; symmetry: P4/mmm → P1

9mo

Fe12Co2BN (P4/mmm)

.cif

Fe12Co2BN (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

9mo

TaFeCo phase diagram

.html

Phase diagram of TaFeCo; eabovehull: 0.219286 eV/atom; predicted_stable: False

9mo
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