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NaTaO3 cubic perovskite (Pm-3m)

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NaTaO3 cubic perovskite (Pm-3m) - relaxed

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Structure

Formula: NaTaO₃
Space group: Pm-3m (221)
Crystal system: Cubic
Atoms per cell: 5
Lattice a, b, c: 3.913 Å3.913 Å3.913 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 59.91 Å³
Density: 6.98 g/cm³

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NaTaO3 phase diagram 1.html
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Structure

Formula: NaTaO₃
Space group: Pm-3m (221)
Crystal system: Cubic
Atoms per cell: 5
Lattice a, b, c: 3.913 Å3.913 Å3.913 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 59.91 Å³
Density: 6.98 g/cm³

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NaTaO3 cubic perovskite, Pm-3m (SG 221), a=3.913 Å. ICSD 39098. From Dorakhan et al. Small 2025. Synthesized but no C2 products detected (A-cation too small for C-C coupling).

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Size: 769 B
Type: .cif file
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2

Included in datasets

CIF calculated properties

Completed assets

Cycle 25: computational catalysis screening outreach

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Predict a crystal property with ALIGNN, Success

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NaTaO3 cubic perovskite (Pm-3m)

Overview

Structure

Attribution

Derived

Results

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Included in datasets

Completed assets

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Structure

Attribution

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Included in datasets

Completed assets

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