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template-Na6MnSb4 1 - relaxed

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Version of · via Relax a crystal structure

template-Na6MnSb4 1

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Structure

Formula: Na₆MnSb₄
Space group: P6_3mc (186)
Crystal system: Hexagonal
Atoms per cell: 22
Lattice a, b, c: 10.457 Å10.459 Å6.734 Å
Angles α, β, γ: 90.01°90.01°119.98°
Volume: 637.94 Å³
Density: 3.54 g/cm³

Attribution

Derived

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Results

1

Na6MnSb4 phase diagram 1.html
Calculate energy above the convex hull

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Structure

Formula: Na₆MnSb₄
Space group: P6_3mc (186)
Crystal system: Hexagonal
Atoms per cell: 22
Lattice a, b, c: 10.457 Å10.459 Å6.734 Å
Angles α, β, γ: 90.01°90.01°119.98°
Volume: 637.94 Å³
Density: 3.54 g/cm³

Properties

Curie temperature

72 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.13 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 = -72.6531 eV; energy change = -2.9396 eV; symmetry: P6_3mc → P6_3mc

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

Properties

Curie temperature

72 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.13 TCHGNet
Estimate magnetic moments and Ms from a CIF

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DataData

Overview

Derived

Results

template-Na6MnSb4 1 - relaxed

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