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gen_Co2Fe1Pt1_4_1 - relaxed

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Overview

Version of · via Relax a crystal structure

gen_Co2Fe1Pt1_4_1

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Supporting

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gen_Co2Fe1Pt1_4_1 - relaxed - 3x3x3 supercell.cif
Expand a crystal structure into a supercell

Structure

Formula: FeCo₂Pt
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 4
Lattice a, b, c: 3.644 Å3.650 Å3.645 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 48.48 Å³
Density: 12.63 g/cm³

Attribution

Derived

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Results

2

Connections

2

Referenced by

MAE Testing the Treequest Search

Included in datasets

RE-free permanent magnet candidates

Actions

Structure

Formula: FeCo₂Pt
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 4
Lattice a, b, c: 3.644 Å3.650 Å3.645 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 48.48 Å³
Density: 12.63 g/cm³

Properties

Curie temperature

856 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.45 TCHGNet
Estimate magnetic moments and Ms from a CIF

Attribution

ARR license

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.1047 eV; energy change = -0.0019 eV; symmetry: P4/mmm → P4/mmm

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Stats

Size: 843 B
Type: .cif file
Downloads: 1

Properties

Curie temperature

856 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.45 TCHGNet
Estimate magnetic moments and Ms from a CIF

50

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Connections

2

Referenced by

MAE Testing the Treequest Search

Included in datasets

RE-free permanent magnet candidates

DataData

DataData

Overview

Supporting

Derived

Results

gen_Co2Fe1Pt1_4_1 - relaxed

Overview

Supporting

Structure

Attribution

Derived

Results

Connections

Referenced by

Included in datasets

Actions

Structure

Properties

Curie temperature

Saturation magnetization

Attribution

Stats

Properties

Curie temperature

Saturation magnetization

Connections

Referenced by

Included in datasets

Actions

Data

Data