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template-AlCrO3 - relaxed

Name: template-AlCrO3 - relaxed
Creator: will
Published: 2026-06-29T05:14:57.787156+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Version of · via Relax a crystal structure

template-AlCrO3

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Structure

Formula: AlCrO₃
Space group: Cmc2_1 (36)
Crystal system: Orthorhombic
Atoms per cell: 30
Lattice a, b, c: 5.495 Å5.491 Å11.775 Å
Angles α, β, γ: 90.13°89.87°119.94°
Volume: 307.87 Å³
Density: 4.11 g/cm³

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RE-free permanent magnet candidates

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Structure

Formula: AlCrO₃
Space group: Cmc2_1 (36)
Crystal system: Orthorhombic
Atoms per cell: 30
Lattice a, b, c: 5.495 Å5.491 Å11.775 Å
Angles α, β, γ: 90.13°89.87°119.94°
Volume: 307.87 Å³
Density: 4.11 g/cm³

Attribution

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -221.5261 eV; energy change = -0.7686 eV; symmetry: P6_3cm → Cmc2_1

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Size: 1.79 KB
Type: .cif file
Downloads: 0

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1

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RE-free permanent magnet candidates

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Overview

template-AlCrO3 - relaxed

Overview

Structure

Attribution

Connections

Included in datasets

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Structure

Attribution

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Connections

Included in datasets

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Data

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