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template-RbVI3 - relaxed

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Version of · via Relax a crystal structure

template-RbVI3

1414

Structure

Formula: RbVI₃
Space group: P6_3cm (185)
Crystal system: Hexagonal
Atoms per cell: 30
Lattice a, b, c: 14.030 Å14.030 Å7.030 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 1198.38 Å³
Density: 4.30 g/cm³

Attribution

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Included in datasets

CIF calculated properties

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Structure

Formula: RbVI₃
Space group: P6_3cm (185)
Crystal system: Hexagonal
Atoms per cell: 30
Lattice a, b, c: 14.030 Å14.030 Å7.030 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 1198.38 Å³
Density: 4.30 g/cm³

Properties

Curie temperature

66 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.14 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 = -113.8096 eV; energy change = 0.0000 eV; symmetry: P6_3cm → P6_3cm

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Size: 1.76 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

66 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.14 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-RbVI3 - 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