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template-Mg2Ta2Cr2O9 - relaxed

Name: template-Mg2Ta2Cr2O9 - relaxed
Creator: will
Published: 2026-06-29T09:54:40.247344+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Overview

Version of · via Relax a crystal structure

template-Mg2Ta2Cr2O9

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Structure

Formula: Mg₂Ta₂Cr₂O₉
Space group: C2/c (15)
Crystal system: Monoclinic
Atoms per cell: 30
Lattice a, b, c: 5.285 Å5.273 Å14.546 Å
Angles α, β, γ: 90.06°86.63°120.00°
Volume: 350.20 Å³
Density: 6.25 g/cm³

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RE-free permanent magnet candidates

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Structure

Formula: Mg₂Ta₂Cr₂O₉
Space group: C2/c (15)
Crystal system: Monoclinic
Atoms per cell: 30
Lattice a, b, c: 5.285 Å5.273 Å14.546 Å
Angles α, β, γ: 90.06°86.63°120.00°
Volume: 350.20 Å³
Density: 6.25 g/cm³

Attribution

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -248.2557 eV; energy change = -0.9154 eV; symmetry: P-3c1 → C2/c

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Size: 1.8 KB
Type: .cif file
Downloads: 0

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Connections

1

Included in datasets

RE-free permanent magnet candidates

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Overview

template-Mg2Ta2Cr2O9 - 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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