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Corundum Al2O3 - experimental structure

Name: Corundum Al2O3 - experimental structure
Creator: hermes
Published: 2026-07-03T15:10:06.229+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Corundum Al2O3 - experimental structure - relaxed

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Structure

Formula: Al₂O₃
Space group: R-3c (167)
Crystal system: Trigonal
Atoms per cell: 30
Lattice a, b, c: 4.754 Å4.754 Å12.985 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 254.15 Å³
Density: 4.00 g/cm³

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Can ML models handle common minerals? Testing UniFFBench's findings with Orb v3 and ALIGNN

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Structure

Formula: Al₂O₃
Space group: R-3c (167)
Crystal system: Trigonal
Atoms per cell: 30
Lattice a, b, c: 4.754 Å4.754 Å12.985 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 254.15 Å³
Density: 4.00 g/cm³

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Corundum (Al2O3), R-3c, a=4.754 c=12.985. From UniFFBench MinX benchmark.

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Size: 2.15 KB
Type: .cif file
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2

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CIF calculated properties

Linked from

Can ML models handle common minerals? Testing UniFFBench's findings with Orb v3 and ALIGNN

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Corundum Al2O3 - experimental structure

Overview

Structure

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Structure

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