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template-MgVCr3Se8 - relaxed

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Version of · via Relax a crystal structure

template-MgVCr3Se8

55

Structure

Formula: MgVCr₃Se₈
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 13
Lattice a, b, c: 7.313 Å7.314 Å7.314 Å
Angles α, β, γ: 61.46°61.45°61.46°
Volume: 285.66 Å³
Density: 5.02 g/cm³

Attribution

Connections

2

Included in datasets

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Structure

Formula: MgVCr₃Se₈
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 13
Lattice a, b, c: 7.313 Å7.314 Å7.314 Å
Angles α, β, γ: 61.46°61.45°61.46°
Volume: 285.66 Å³
Density: 5.02 g/cm³

Properties

Curie temperature

146 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.38 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 = -75.8802 eV; energy change = -1.9333 eV; symmetry: R3m → R3m

ARR license

5

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Size: 1.14 KB
Type: .cif file
Downloads: 0

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50

Properties

Curie temperature

146 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.38 TCHGNet
Estimate magnetic moments and Ms from a CIF

Connections

2

DataData

DataData

Overview

template-MgVCr3Se8 - 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