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template-MnCr8Cu3S16 1 - relaxed

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Version of · via Relax a crystal structure

template-MnCr8Cu3S16 1

77

Structure

Formula: MnCr₈Cu₃S₁₆
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 28
Lattice a, b, c: 12.124 Å12.124 Å12.124 Å
Angles α, β, γ: 33.66°33.66°33.66°
Volume: 487.73 Å³
Density: 4.00 g/cm³

Attribution

Derived

1

Results

1

MnCr8Cu3S16 phase diagram 1.html
Calculate energy above the convex hull

Connections

3

Included in datasets

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Structure

Formula: MnCr₈Cu₃S₁₆
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 28
Lattice a, b, c: 12.124 Å12.124 Å12.124 Å
Angles α, β, γ: 33.66°33.66°33.66°
Volume: 487.73 Å³
Density: 4.00 g/cm³

Properties

Curie temperature

286 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.64 TCHGNet
Estimate magnetic moments and Ms from a CIF

Attribution

ARR license

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -182.6357 eV; energy change = -0.0123 eV; symmetry: R3m → R3m

Properties

Curie temperature

286 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.64 TCHGNet
Estimate magnetic moments and Ms from a CIF

7

Stats

Size: 1.71 KB
Type: .cif file
Downloads: 0

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DataData

Overview

Derived

Results

template-MnCr8Cu3S16 1 - relaxed

Overview

Structure

Attribution

Derived

Results

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