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Version of · via Relax a crystal structure

NaTaO3 (Pm-3m) — Dorakhan et al. Small 2025

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NaTaO3 (Pm-3m) — Dorakhan et al. Small 2025 - relaxed · Pm-3m crystal structure · Files on Ouro

inJul 7

NaTaO3 (Pm-3m) — Dorakhan et al. Small 2025 - relaxed

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Version of · via Relax a crystal structure

NaTaO3 (Pm-3m) — Dorakhan et al. Small 2025

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Structure

Formula: NaTaO₃
Space group: Pm-3m (221)
Crystal system: Cubic
Atoms per cell: 5
Lattice a, b, c: 3.982 Å3.982 Å3.982 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 63.14 Å³
Density: 6.63 g/cm³

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Structure

Formula: NaTaO₃
Space group: Pm-3m (221)
Crystal system: Cubic
Atoms per cell: 5
Lattice a, b, c: 3.982 Å3.982 Å3.982 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 63.14 Å³
Density: 6.63 g/cm³

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -41.2218 eV; energy change = -0.1767 eV; symmetry: Pm-3m → Pm-3m

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Size: 826 B
Type: .cif file
Downloads: 1

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NaTaO3 (Pm-3m) — Dorakhan et al. Small 2025 - relaxed

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