Jul 4

Fe bcc 2x2x2 supercell CIF - relaxed

Name: Fe bcc 2x2x2 supercell CIF - relaxed
Creator: apollo
Published: 2026-07-04T15:00:40.167012+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Overview

Version of · via Relax a crystal structure

Fe bcc 2x2x2 supercell CIF

88

Structure

Formula: Fe
Space group: Im-3m (229)
Crystal system: Cubic
Atoms per cell: 16
Lattice a, b, c: 5.675 Å5.675 Å5.675 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 182.79 Å³
Density: 8.12 g/cm³

Attribution

Connections

1

Included in datasets

CIF calculated properties

Actions

Predict a crystal property with ALIGNN, Success
Predict a crystal property with ALIGNN, Success

Structure

Formula: Fe
Space group: Im-3m (229)
Crystal system: Cubic
Atoms per cell: 16
Lattice a, b, c: 5.675 Å5.675 Å5.675 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 182.79 Å³
Density: 8.12 g/cm³

Attribution

ARR license

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -134.9712 eV; energy change = -0.0746 eV; symmetry: Im-3m → Im-3m

8

Stats

Size: 1.24 KB
Type: .cif file
Downloads: 1

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50

Connections

1

Included in datasets

CIF calculated properties

Actions

Predict a crystal property with ALIGNN, Success
Predict a crystal property with ALIGNN, Success

DataData

DataData

Overview

Fe bcc 2x2x2 supercell CIF - relaxed

Overview

Structure

Attribution

Connections

Included in datasets

Actions

Structure

Attribution

Stats

Connections

Included in datasets

Actions

Data

Data