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template-RbVI3 - relaxed · P6_3cm crystal structure · Files on Ouro

Jun 29

template-RbVI3 - relaxed

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Overview

Created by route

Relax a crystal structure

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Structure

Formula: RbVI₃
Space group: P6_3cm (185)
Crystal system: Hexagonal
Atoms per cell: 30

Structure

Formula: RbVI₃
Space group: P6_3cm (185)
Crystal system: Hexagonal
Atoms per cell: 30

Lattice a, b, c

14.030 Å, 14.030 Å, 7.030 Å

Angles α, β, γ

90.00°, 90.00°, 120.00°

Volume

1198.38 Å³

Density

4.30 g/cm³

Attribution

Connections

3

Inputs

template-RbVI3.cif

Derived assets

RbVI3 phase diagram.html

Included in datasets

CIF calculated properties

Actions

Estimate magnetic moments and Ms from a CIFsuccess
Predict Curie temperature from a CIFsuccess

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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

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47

Created by route

Relax a crystal structure

Connections

3

Inputs

template-RbVI3.cif

Derived assets

RbVI3 phase diagram.html

Included in datasets

CIF calculated properties

Actions

Estimate magnetic moments and Ms from a CIFsuccess
Predict Curie temperature from a CIFsuccess

DataData

DataData

Overview

template-RbVI3 - relaxed

Overview

Structure

Structure

Attribution

Connections

Inputs

Derived assets

Included in datasets

Actions

Stats

Connections

Inputs

Derived assets

Included in datasets

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Data

Data