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KTaO3 cubic perovskite (Pm-3m) · Pm-3m crystal structure · Files on Ouro

Jul 13

KTaO3 cubic perovskite (Pm-3m)

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Overview

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Structure

Formula: KTaO₃
Space group: Pm-3m (221)
Crystal system: Cubic
Atoms per cell: 5

Structure

Formula: KTaO₃
Space group: Pm-3m (221)
Crystal system: Cubic
Atoms per cell: 5

Lattice a, b, c

3.989 Å, 3.989 Å, 3.989 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

63.47 Å³

Density

7.01 g/cm³

Attribution

Connections

4

Derived assets

KTaO3 phase diagram 1.html
KTaO3 cubic perovskite (Pm-3m) - relaxed.cif

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CIF calculated properties

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Cycle 25: computational catalysis screening outreach

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KTaO3 cubic perovskite, Pm-3m (SG 221), a=3.989 Å. ICSD 39673. Primary candidate from Dorakhan et al. Small 2025 for CO2RR C-C coupling. Experimentally verified with 10% C2 Faradaic efficiency.

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Size: 767 B
Type: .cif file
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47

Connections

4

Derived assets

KTaO3 phase diagram 1.html
KTaO3 cubic perovskite (Pm-3m) - relaxed.cif

Included in datasets

CIF calculated properties

Completed assets

Cycle 25: computational catalysis screening outreach

Actions

Predict a crystal property with ALIGNNsuccess

DataData

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Overview

KTaO3 cubic perovskite (Pm-3m)

Overview

Structure

Structure

Attribution

Connections

Derived assets

Included in datasets

Completed assets

Actions

Stats

Connections

Derived assets

Included in datasets

Completed assets

Actions

Data

Data