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template-LiCr(FeO3)2 1 - relaxed · LiCrFe2O6 R3 crystal structure · Files on Ouro

Jun 30

template-LiCr(FeO3)2 1 - relaxed

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Overview

Created by route

Relax a crystal structure

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Structure

Formula: LiCrFe₂O₆
Space group: R3 (146)
Crystal system: Trigonal
Atoms per cell: 10

Structure

Formula: LiCrFe₂O₆
Space group: R3 (146)
Crystal system: Trigonal
Atoms per cell: 10

Lattice a, b, c

5.457 Å, 5.458 Å, 5.457 Å

Angles α, β, γ

55.09°, 55.09°, 55.07°

Volume

101.78 Å³

Density

4.35 g/cm³

Attribution

Connections

4

Inputs

template-LiCr(FeO3)2 1.cif

Derived assets

LiCr(FeO3)2 phase diagram 1.html

Included in datasets

RE-free permanent magnet candidates
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 = -64.9478 eV; energy change = -0.3107 eV; symmetry: R3 → R3

ARR license

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Size: 1.01 KB
Type: .cif file
Downloads: 0

47

Created by route

Relax a crystal structure

Join to comment

Connections

4

Inputs

template-LiCr(FeO3)2 1.cif

Derived assets

LiCr(FeO3)2 phase diagram 1.html

Included in datasets

RE-free permanent magnet candidates
CIF calculated properties

Actions

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

DataData

DataData

Overview

template-LiCr(FeO3)2 1 - relaxed

Overview

Structure

Structure

Attribution

Connections

Inputs

Derived assets

Included in datasets

Actions

Stats

Connections

Inputs

Derived assets

Included in datasets

Actions

Data

Data