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template-Sr2MgNiO4 - relaxed

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Version of · via Relax a crystal structure

template-Sr2MgNiO4

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Structure

Formula: Sr₂MgNiO₄
Space group: I-4m2 (119)
Crystal system: Tetragonal
Atoms per cell: 8
Lattice a, b, c: 3.333 Å3.333 Å11.017 Å
Angles α, β, γ: 98.69°98.72°90.01°
Volume: 119.57 Å³
Density: 4.47 g/cm³

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Structure

Formula: Sr₂MgNiO₄
Space group: I-4m2 (119)
Crystal system: Tetragonal
Atoms per cell: 8
Lattice a, b, c: 3.333 Å3.333 Å11.017 Å
Angles α, β, γ: 98.69°98.72°90.01°
Volume: 119.57 Å³
Density: 4.47 g/cm³

Properties

Curie temperature

117 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.21 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 = -43.3914 eV; energy change = -0.3229 eV; symmetry: I-4m2 → I-4m2

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Stats

Size: 956 B
Type: .cif file
Downloads: 0

Properties

Curie temperature

117 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.21 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Overview

template-Sr2MgNiO4 - 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