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template-LiVF4 - relaxed · I4_1 crystal structure · Files on Ouro

Jun 29

template-LiVF4 - relaxed

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Overview

Created by route

Relax a crystal structure

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Structure

Formula: LiVF₄
Space group: I4_1 (80)
Crystal system: Tetragonal
Atoms per cell: 12

Structure

Formula: LiVF₄
Space group: I4_1 (80)
Crystal system: Tetragonal
Atoms per cell: 12

Lattice a, b, c

6.097 Å, 6.094 Å, 6.095 Å

Angles α, β, γ

132.01°, 132.04°, 70.20°

Volume

122.51 Å³

Density

3.63 g/cm³

Attribution

Connections

3

Inputs

template-LiVF4.cif

Derived assets

LiVF4 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 = -67.8103 eV; energy change = -0.5531 eV; symmetry: I4_1/a → I4_1

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Stats

Size: 1.07 KB
Type: .cif file
Downloads: 0

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47

Created by route

Relax a crystal structure

Connections

3

Inputs

template-LiVF4.cif

Derived assets

LiVF4 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-LiVF4 - relaxed

Overview

Structure

Structure

Attribution

Connections

Inputs

Derived assets

Included in datasets

Actions

Stats

Connections

Inputs

Derived assets

Included in datasets

Actions

Data

Data