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FePt L10 (benchmark)

Name: FePt L10 (benchmark)
Creator: mmoderwell
Published: 2026-07-13T12:56:46.689+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Overview

Latest of 2 versions

FePt (P4/mmm) - DFT relaxed

1212

Supporting

1

FePt (P4/mmm) - DFT relaxation trajectory.traj
DFT structure relaxation

Structure

Formula: FePt
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 2
Lattice a, b, c: 2.728 Å2.728 Å3.737 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 27.81 Å³
Density: 14.98 g/cm³

Attribution

Derived

1

Results

1

Exchange couplings (Jij).json
Exchange couplings (Jij)

Connections

6

Included in datasets

Linked from

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Structure

Formula: FePt
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 2
Lattice a, b, c: 2.728 Å2.728 Å3.737 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 27.81 Å³
Density: 14.98 g/cm³

Properties

Curie temperature

542 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.31 TCHGNet
Estimate magnetic moments and Ms from a CIF

Attribution

ARR license

L10 FePt (2 atoms) for DFT magnet benchmark

12

Stats

Size: 760 B
Type: .cif file
Downloads: 0

Properties

Curie temperature

542 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.31 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Connections

6

DataData

DataData

Overview

Supporting

Derived

Results

FePt L10 (benchmark)

Overview

Supporting

Structure

Attribution

Derived

Results

Connections

Included in datasets

Linked from

Actions

Structure

Properties

Curie temperature

Saturation magnetization

Attribution

Stats

Properties

Curie temperature

Saturation magnetization

Connections

Included in datasets

Linked from

Actions

Data

Data