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template-Mn7F16 - relaxed

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Version of · via Relax a crystal structure

template-Mn7F16

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Structure

Formula: Mn₇F₁₆
Space group: R-3 (148)
Crystal system: Trigonal
Atoms per cell: 23
Lattice a, b, c: 6.547 Å9.584 Å6.549 Å
Angles α, β, γ: 70.00°60.02°70.02°
Volume: 327.01 Å³
Density: 3.50 g/cm³

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Structure

Formula: Mn₇F₁₆
Space group: R-3 (148)
Crystal system: Trigonal
Atoms per cell: 23
Lattice a, b, c: 6.547 Å9.584 Å6.549 Å
Angles α, β, γ: 70.00°60.02°70.02°
Volume: 327.01 Å³
Density: 3.50 g/cm³

Properties

Curie temperature

43 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.13 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 = -141.2893 eV; energy change = -0.3473 eV; symmetry: R-3 → R-3

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Size: 1.5 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

43 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.13 TCHGNet
Estimate magnetic moments and Ms from a CIF

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DataData

DataData

Overview

template-Mn7F16 - 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