Sep 9

fcc Ni control (Fm-3m, validated)

Data Docs Logs

Overview

1111

Structure

Formula: Ni
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 4

Structure

Formula: Ni
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 4

Lattice a, b, c

3.524 Å, 3.524 Å, 3.524 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

43.77 Å³

Density

8.91 g/cm³

Attribution

Connections

1

Derived assets

fcc Ni control (Fm-3m, validated) - 2x2x2 supercell
.cif
Supercell 2x2x2 of Ni (Space group: Fm-3m, 1536 symmetry operations)

ActionsTools that work with this file

Available for this file

Recent runs

Predict Curie temperature from a CIFsuccess

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).

ARR license

11

Stats

Size: 5.15 KB
Type: .cif file
Downloads: 0

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46

Connections

1

Derived assets

fcc Ni control (Fm-3m, validated) - 2x2x2 supercell
.cif
Supercell 2x2x2 of Ni (Space group: Fm-3m, 1536 symmetry operations)

ActionsTools that work with this file

Available for this file

Recent runs

Predict Curie temperature from a CIFsuccess