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KTaO3 (Pm-3m) — Dorakhan et al. Small 2025 - relaxed · Pm-3m crystal structure · Files on Ouro

Jul 7

KTaO3 (Pm-3m) — Dorakhan et al. Small 2025 - relaxed

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Relax a crystal structure

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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

4.029 Å, 4.029 Å, 4.029 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

65.41 Å³

Density

6.80 g/cm³

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KTaO3 (Pm-3m) — Dorakhan et al. Small 2025.cif

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -41.1344 eV; energy change = -0.0378 eV; symmetry: Pm-3m → Pm-3m

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Size: 822 B
Type: .cif file
Downloads: 0

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KTaO3 (Pm-3m) — Dorakhan et al. Small 2025.cif

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Created by route

Relax a crystal structure

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KTaO3 (Pm-3m) — Dorakhan et al. Small 2025 - relaxed

Overview

Structure

Structure

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Data

Data