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template-Sr3Mn4O12 - relaxed

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Version of · via Relax a crystal structure

template-Sr3Mn4O12

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Structure

Formula: Sr₃Mn₄O₁₂
Space group: P-3m1 (164)
Crystal system: Trigonal
Atoms per cell: 19
Lattice a, b, c: 5.519 Å5.519 Å9.320 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 245.81 Å³
Density: 4.56 g/cm³

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Structure

Formula: Sr₃Mn₄O₁₂
Space group: P-3m1 (164)
Crystal system: Trigonal
Atoms per cell: 19
Lattice a, b, c: 5.519 Å5.519 Å9.320 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 245.81 Å³
Density: 4.56 g/cm³

Properties

Curie temperature

223 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.66 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 = -127.1491 eV; energy change = -0.0100 eV; symmetry: P-3m1 → P-3m1

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Size: 1.36 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

223 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.66 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Overview

template-Sr3Mn4O12 - 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