Jul 14

La2CrFeO6 Fm-3m double perovskite CIF - relaxed

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Overview

Created by route

Relax a crystal structure

1111

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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La2CrFeO6 Fm-3m double perovskite CIF
.cif
Rock-salt ordered double perovskite La2CrFeO6, Fm-3m (225), a=8.3 Å, built with ASE for Wang et al. 2025 PV screening analysis

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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
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Created by route

Relax a crystal structure

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La2CrFeO6 Fm-3m double perovskite CIF
.cif
Rock-salt ordered double perovskite La2CrFeO6, Fm-3m (225), a=8.3 Å, built with ASE for Wang et al. 2025 PV screening analysis

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Overview

La2CrFeO6 Fm-3m double perovskite CIF - relaxed

Overview

Structure

Structure

Attribution

Connections

Inputs

Available for this file

Stats

Connections

Inputs

Available for this file

Data

Data