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template-Mg14MnV 1 - relaxed 1

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Version of · via Relax a crystal structure

template-Mg14MnV 1

77

Structure

Formula: Mg₁₄MnV
Space group: P-6m2 (187)
Crystal system: Hexagonal
Atoms per cell: 16
Lattice a, b, c: 6.300 Å6.300 Å10.036 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 344.97 Å³
Density: 2.15 g/cm³

Attribution

Derived

1

Results

1

Mg14MnV phase diagram 1.html
Calculate energy above the convex hull

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Included in datasets

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Structure

Formula: Mg₁₄MnV
Space group: P-6m2 (187)
Crystal system: Hexagonal
Atoms per cell: 16
Lattice a, b, c: 6.300 Å6.300 Å10.036 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 344.97 Å³
Density: 2.15 g/cm³

Properties

Curie temperature

46 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.22 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 = -38.4775 eV; energy change = -0.0020 eV; symmetry: P-6m2 → P-6m2

7

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Size: 1.25 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

46 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.22 TCHGNet
Estimate magnetic moments and Ms from a CIF

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2

DataData

DataData

Overview

Derived

Results

template-Mg14MnV 1 - relaxed 1

Overview

Structure

Attribution

Derived

Results

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