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template-MnPt2 - relaxed

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Version of · via Relax a crystal structure

template-MnPt2

1616

Structure

Formula: MnPt₂
Space group: P-3m1 (164)
Crystal system: Trigonal
Atoms per cell: 3
Lattice a, b, c: 2.875 Å2.875 Å6.502 Å
Angles α, β, γ: 90.00°89.99°120.00°
Volume: 46.54 Å³
Density: 15.88 g/cm³

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Structure

Formula: MnPt₂
Space group: P-3m1 (164)
Crystal system: Trigonal
Atoms per cell: 3
Lattice a, b, c: 2.875 Å2.875 Å6.502 Å
Angles α, β, γ: 90.00°89.99°120.00°
Volume: 46.54 Å³
Density: 15.88 g/cm³

Properties

Curie temperature

381 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.88 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 = -21.7631 eV; energy change = -0.0029 eV; symmetry: P-3m1 → P-3m1

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16

Stats

Size: 749 B
Type: .cif file
Downloads: 0

Properties

Curie temperature

381 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.88 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Overview

template-MnPt2 - 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