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Jul 14

La2CrFeO6 Fm-3m double perovskite CIF - relaxed

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Created by route

Relax a crystal structure

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Structure

Formula: La₂CrFeO₆
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 40

Structure

Formula: La₂CrFeO₆
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 40

Lattice a, b, c

7.864 Å, 7.863 Å, 7.863 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

486.24 Å³

Density

6.58 g/cm³

Attribution

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1

Inputs

La2CrFeO6 Fm-3m double perovskite CIF.cif

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -314.0511 eV; energy change = -6.1032 eV; symmetry: Fm-3m → Fm-3m

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Size: 2.19 KB
Type: .cif file
Downloads: 0

La2CrFeO6 Fm-3m double perovskite CIF - relaxed · Fm-3m crystal structure · Files on Ouro

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Created by route

Relax a crystal structure

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La2CrFeO6 Fm-3m double perovskite CIF.cif

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DataData

Overview

La2CrFeO6 Fm-3m double perovskite CIF - relaxed

Overview

Structure

Structure

Attribution

Connections

Inputs

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Connections

Inputs

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Data

Data