inJun 29

template-Mg2CrMo3S8 - relaxed

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Version of · via Relax a crystal structure

template-Mg2CrMo3S8

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Structure

Formula: Mg₂CrMo₃S₈
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 14
Lattice a, b, c: 7.419 Å7.381 Å7.418 Å
Angles α, β, γ: 59.84°60.00°59.83°
Volume: 286.50 Å³
Density: 3.74 g/cm³

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Structure

Formula: Mg₂CrMo₃S₈
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 14
Lattice a, b, c: 7.419 Å7.381 Å7.418 Å
Angles α, β, γ: 59.84°60.00°59.83°
Volume: 286.50 Å³
Density: 3.74 g/cm³

Properties

Curie temperature

66 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.17 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 = -87.7009 eV; energy change = -0.0011 eV; symmetry: R-3m → R-3m

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Properties

Curie temperature

66 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.17 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Size: 1.16 KB
Type: .cif file
Downloads: 0

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Overview

template-Mg2CrMo3S8 - relaxed

Overview

Structure

Attribution

Connections

Included in datasets

Actions

Structure

Properties

Curie temperature

Saturation magnetization

Attribution

Properties

Curie temperature

Saturation magnetization

Stats

Connections

Included in datasets

Actions

Data

Data