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template-MgV2Cr2O6 - relaxed

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Overview

Version of · via Relax a crystal structure

template-MgV2Cr2O6

33

Structure

Formula: MgV₂Cr₂O₆
Space group: R-3 (148)
Crystal system: Trigonal
Atoms per cell: 11
Lattice a, b, c: 5.843 Å5.843 Å5.843 Å
Angles α, β, γ: 52.62°52.62°52.62°
Volume: 116.65 Å³
Density: 4.64 g/cm³

Attribution

Connections

2

Included in datasets

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Structure

Formula: MgV₂Cr₂O₆
Space group: R-3 (148)
Crystal system: Trigonal
Atoms per cell: 11
Lattice a, b, c: 5.843 Å5.843 Å5.843 Å
Angles α, β, γ: 52.62°52.62°52.62°
Volume: 116.65 Å³
Density: 4.64 g/cm³

Properties

Curie temperature

141 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.11 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 = -82.3105 eV; energy change = -0.1074 eV; symmetry: R-3 → R-3

ARR license

3

Stats

Size: 1.04 KB
Type: .cif file
Downloads: 0

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50

Properties

Curie temperature

141 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.11 TCHGNet
Estimate magnetic moments and Ms from a CIF

Connections

2

DataData

DataData

Overview

template-MgV2Cr2O6 - 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