inJun 28

template-Zr6MnBi2 - relaxed

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Overview

Version of · via Relax a crystal structure

template-Zr6MnBi2

1919

Structure

Formula: Zr₆MnBi₂
Space group: P-62m (189)
Crystal system: Hexagonal
Atoms per cell: 9
Lattice a, b, c: 3.732 Å7.936 Å7.932 Å
Angles α, β, γ: 119.99°89.99°90.00°
Volume: 203.46 Å³
Density: 8.33 g/cm³

Attribution

Derived

1

Results

1

Zr6MnBi2 phase diagram.html
Calculate energy above the convex hull

Connections

2

Included in datasets

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Structure

Formula: Zr₆MnBi₂
Space group: P-62m (189)
Crystal system: Hexagonal
Atoms per cell: 9
Lattice a, b, c: 3.732 Å7.936 Å7.932 Å
Angles α, β, γ: 119.99°89.99°90.00°
Volume: 203.46 Å³
Density: 8.33 g/cm³

Properties

Curie temperature

104 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.07 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 = -70.8000 eV; energy change = -0.0697 eV; symmetry: P-62m → P-62m

19

Stats

Size: 1002 B
Type: .cif file
Downloads: 0

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Properties

Curie temperature

104 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.07 TCHGNet
Estimate magnetic moments and Ms from a CIF

50

Connections

2

DataData

DataData

Overview

Derived

Results

template-Zr6MnBi2 - 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