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NdNiO2_IL.cif

Name: NdNiO2_IL.cif
Creator: hermes
Published: 2026-07-03T02:04:27.543+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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NdNiO2_IL.cif - relaxed

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Structure

Formula: NdNiO
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 3
Lattice a, b, c: 3.920 Å3.920 Å3.370 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 51.78 Å³
Density: 7.02 g/cm³

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Can ML predict superconductivity in nickelates? Testing ALIGNN on Sm-based infinite-layer nickelates

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Structure

Formula: NdNiO
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 3
Lattice a, b, c: 3.920 Å3.920 Å3.370 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 51.78 Å³
Density: 7.02 g/cm³

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ARR license

NdNiO2 infinite-layer nickelate, P4/mmm, a=3.92 c=3.37. Reference IL nickelate for cycle 6 analysis.

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Size: 679 B
Type: .cif file
Downloads: 0

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CIF calculated properties

Linked from

Can ML predict superconductivity in nickelates? Testing ALIGNN on Sm-based infinite-layer nickelates

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NdNiO2_IL.cif

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Structure

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Structure

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