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Version of · via Relax a crystal structure

NdNiO2_IL.cif

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NdNiO2_IL.cif - relaxed · P4/mmm crystal structure · Files on Ouro

inJul 2

NdNiO2_IL.cif - relaxed

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Version of · via Relax a crystal structure

NdNiO2_IL.cif

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Structure

Formula: NdNiO
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 3
Lattice a, b, c: 3.467 Å3.467 Å4.102 Å
Angles α, β, γ: 90.00°89.99°89.99°
Volume: 49.32 Å³
Density: 7.37 g/cm³

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Structure

Formula: NdNiO
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 3
Lattice a, b, c: 3.467 Å3.467 Å4.102 Å
Angles α, β, γ: 90.00°89.99°89.99°
Volume: 49.32 Å³
Density: 7.37 g/cm³

Attribution

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -16.1200 eV; energy change = -1.4634 eV; symmetry: P4/mmm → P4/mmm

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Size: 749 B
Type: .cif file
Downloads: 0

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NdNiO2_IL.cif - relaxed

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Structure

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