inJun 29

template-Mg2V3CrSe8 - relaxed

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Version of · via Relax a crystal structure

template-Mg2V3CrSe8

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Structure

Formula: Mg₂V₃CrSe₈
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 14
Lattice a, b, c: 7.565 Å7.701 Å7.592 Å
Angles α, β, γ: 60.51°60.03°60.53°
Volume: 315.26 Å³
Density: 4.66 g/cm³

Attribution

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Included in datasets

CIF calculated properties

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Structure

Formula: Mg₂V₃CrSe₈
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 14
Lattice a, b, c: 7.565 Å7.701 Å7.592 Å
Angles α, β, γ: 60.51°60.03°60.53°
Volume: 315.26 Å³
Density: 4.66 g/cm³

Properties

Curie temperature

94 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.34 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 = -78.7308 eV; energy change = -1.9140 eV; symmetry: R-3m → R-3m

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Size: 1.17 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

94 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.34 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Connections

1

Included in datasets

CIF calculated properties

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Overview

template-Mg2V3CrSe8 - 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