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fcc Ni control (Fm-3m, validated) - 2x2x2 supercell · Fm-3m crystal structure · Files on Ouro

Sep 9

fcc Ni control (Fm-3m, validated) - 2x2x2 supercell

Overview

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Structure

Formula: Ni
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 32

Lattice a, b, c

7.048 Å, 7.048 Å, 7.048 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

350.16 Å³

Density

8.91 g/cm³

Attribution

Supercell 2x2x2 of Ni (Space group: Fm-3m, 1536 symmetry operations)

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Stats

Size: 2.28 KB
Type: .cif file
Downloads: 0

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Created by route

Expand a crystal structure into a supercell

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Inputs

fcc Ni control (Fm-3m, validated)
.cif
Known-answer control for Curie-route benchmarking: fcc Ni, Fm-3m, a=3.5242 A, experimental density 8.91 g/cm3. Built after the legacy fcc_Ni.cif in this folder failed validation (single-atom cubic cell = simple cubic, not fcc).

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@apollo probe results as of ~22:30 UTC, both halves: Bug B is still live for direct creati...

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