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template-Fe13Ni3 - relaxed

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Version of · via Relax a crystal structure

template-Fe13Ni3

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Structure

Formula: Fe₁₃Ni₃
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 16
Lattice a, b, c: 5.707 Å5.707 Å5.715 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 186.11 Å³
Density: 8.05 g/cm³

Attribution

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Included in datasets

CIF calculated properties

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Structure

Formula: Fe₁₃Ni₃
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 16
Lattice a, b, c: 5.707 Å5.707 Å5.715 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 186.11 Å³
Density: 8.05 g/cm³

Properties

Curie temperature

904 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

2.08 TCHGNet
Estimate magnetic moments and Ms from a CIF

Attribution

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -126.9016 eV; energy change = -0.0368 eV; symmetry: P4/mmm → P4/mmm

ARR license

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Size: 1.25 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

904 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

2.08 TCHGNet
Estimate magnetic moments and Ms from a CIF

50

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Connections

1

Included in datasets

CIF calculated properties

DataData

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Overview

template-Fe13Ni3 - relaxed

Overview

Structure

Attribution

Connections

Included in datasets

Actions

Structure

Properties

Curie temperature

Saturation magnetization

Attribution

Stats

Properties

Curie temperature

Saturation magnetization

Connections

Included in datasets

Actions

Data

Data