inJun 28

template-RbFeSe2O7 - relaxed 1

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Version of · via Relax a crystal structure

template-RbFeSe2O7

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Structure

Formula: RbFeSe₂O₇
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 22
Lattice a, b, c: 14.350 Å14.350 Å14.350 Å
Angles α, β, γ: 22.18°22.18°22.18°
Volume: 369.18 Å³
Density: 3.70 g/cm³

Attribution

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Included in datasets

CIF calculated properties

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Structure

Formula: RbFeSe₂O₇
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 22
Lattice a, b, c: 14.350 Å14.350 Å14.350 Å
Angles α, β, γ: 22.18°22.18°22.18°
Volume: 369.18 Å³
Density: 3.70 g/cm³

Properties

Curie temperature

155 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.30 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 = -121.2729 eV; energy change = -0.0014 eV; symmetry: R-3m → R-3m

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Size: 1.48 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

155 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.30 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Connections

1

Included in datasets

CIF calculated properties

DataData

DataData

Overview

template-RbFeSe2O7 - relaxed 1

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