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template-Rb3MnF6 - relaxed

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Version of · via Relax a crystal structure

template-Rb3MnF6

88

Structure

Formula: Rb₃MnF₆
Space group: I4/mmm (139)
Crystal system: Tetragonal
Atoms per cell: 10
Lattice a, b, c: 6.689 Å6.689 Å6.694 Å
Angles α, β, γ: 123.31°123.32°84.29°
Volume: 200.17 Å³
Density: 3.53 g/cm³

Attribution

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Included in datasets

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Structure

Formula: Rb₃MnF₆
Space group: I4/mmm (139)
Crystal system: Tetragonal
Atoms per cell: 10
Lattice a, b, c: 6.689 Å6.689 Å6.694 Å
Angles α, β, γ: 123.31°123.32°84.29°
Volume: 200.17 Å³
Density: 3.53 g/cm³

Properties

Curie temperature

28 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.23 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 = -48.1742 eV; energy change = -0.2533 eV; symmetry: I4/mmm → I4/mmm

ARR license

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Size: 1 KB
Type: .cif file
Downloads: 0

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Properties

Curie temperature

28 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.23 TCHGNet
Estimate magnetic moments and Ms from a CIF

50

Connections

2

DataData

DataData

Overview

template-Rb3MnF6 - 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