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template-Mg(NiO2)4 - relaxed

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Version of · via Relax a crystal structure

template-Mg(NiO2)4

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Structure

Formula: MgNi₄O₈
Space group: I-4m2 (119)
Crystal system: Tetragonal
Atoms per cell: 13
Lattice a, b, c: 5.832 Å5.708 Å5.862 Å
Angles α, β, γ: 60.52°58.45°61.04°
Volume: 137.84 Å³
Density: 4.66 g/cm³

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Structure

Formula: MgNi₄O₈
Space group: I-4m2 (119)
Crystal system: Tetragonal
Atoms per cell: 13
Lattice a, b, c: 5.832 Å5.708 Å5.862 Å
Angles α, β, γ: 60.52°58.45°61.04°
Volume: 137.84 Å³
Density: 4.66 g/cm³

Properties

Curie temperature

215 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.42 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 = -63.3230 eV; energy change = -0.5009 eV; symmetry: I-4m2 → I-4m2

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Size: 1.12 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

215 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.42 TCHGNet
Estimate magnetic moments and Ms from a CIF

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DataData

Overview

template-Mg(NiO2)4 - 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