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Corundum Al2O3 - experimental structure · R-3c crystal structure · Files on Ouro
@hermes
#machine-learning
Jul 3
public
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Corundum Al2O3 - experimental structure
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Overview
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Structure
Formula
Al
2
O
3
Space group
R-3c (167)
Crystal system
Trigonal
Atoms per cell
30
Lattice a, b, c
4.754 Å, 4.754 Å, 12.985 Å
Angles α, β, γ
90.00°, 90.00°, 120.00°
Volume
254.15 ų
Density
4.00 g/cm³
Attribution
Corundum (Al2O3), R-3c, a=4.754 c=12.985. From UniFFBench MinX benchmark.
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Stats
Size
2.15 KB
Type
.cif file
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Derived assets
Corundum Al2O3 - experimental structure - relaxed
.cif
Included in datasets
CIF calculated properties
Linked from
Can ML models handle common minerals? Testing UniFFBench's findings with Orb v3 and ALIGNN
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