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FeCoNiPt (F432) - relaxed

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Version of · via Relax a crystal structure

FeCoNiPt (F432)

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Structure

Formula: FeCo₂Ni₆Pt
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 40
Lattice a, b, c: 7.154 Å7.154 Å7.154 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 366.19 Å³
Density: 13.08 g/cm³

Attribution

Connections

1

Included in datasets

RE-free permanent magnet candidates

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Structure

Formula: FeCo₂Ni₆Pt
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 40
Lattice a, b, c: 7.154 Å7.154 Å7.154 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 366.19 Å³
Density: 13.08 g/cm³

Properties

Energy above hull

0.041 eV/atomOrb v3 hull
Calculate energy above the convex hull

Formation energy

-0.038 eV/atomOrb v3 hull
Calculate energy above the convex hull

Attribution

ARR license

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -225.8460 eV; energy change = -171.9141 eV; symmetry: Fm-3m → P1

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Stats

Size: 2.72 KB
Type: .cif file
Downloads: 1

Properties

Energy above hull

0.041 eV/atomOrb v3 hull
Calculate energy above the convex hull

Formation energy

-0.038 eV/atomOrb v3 hull
Calculate energy above the convex hull

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Connections

1

Included in datasets

RE-free permanent magnet candidates

DataData

DataData

Overview

FeCoNiPt (F432) - relaxed

Overview

Structure

Attribution

Connections

Included in datasets

Actions

Structure

Properties

Energy above hull

Formation energy

Attribution

Stats

Properties

Energy above hull

Formation energy

Connections

Included in datasets

Actions

Data

Data