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template-Mn2V3O8 - relaxed

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Version of · via Relax a crystal structure

template-Mn2V3O8

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Structure

Formula: Mn₂V₃O₈
Space group: P31c (159)
Crystal system: Trigonal
Atoms per cell: 26
Lattice a, b, c: 5.998 Å5.998 Å9.766 Å
Angles α, β, γ: 89.99°90.00°120.00°
Volume: 304.31 Å³
Density: 4.26 g/cm³

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Structure

Formula: Mn₂V₃O₈
Space group: P31c (159)
Crystal system: Trigonal
Atoms per cell: 26
Lattice a, b, c: 5.998 Å5.998 Å9.766 Å
Angles α, β, γ: 89.99°90.00°120.00°
Volume: 304.31 Å³
Density: 4.26 g/cm³

Properties

Curie temperature

125 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.97 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 = -203.5013 eV; energy change = -2.1001 eV; symmetry: P6_3mc → P31c

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Size: 1.61 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

125 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.97 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Overview

template-Mn2V3O8 - 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