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Fe5BiB (P4/mmm)

Name: Fe5BiB (P4/mmm)
Creator: mmoderwell
Published: 2025-07-25T17:43:24.435733+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Overview

Created by route

Generate a crystal structure with CrystaLLM

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Fe5BiB (P4/mmm) - relaxed

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Structure

Formula: Fe₅BiB
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 7
Lattice a, b, c: 4.010 Å4.010 Å5.583 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 89.80 Å³
Density: 9.23 g/cm³

Attribution

Derived

2

Results

2

Fe5BiB (P4/mmm) - relaxed - phonon dispersionImage
Calculate phonon dispersion and band structure
Fe5BiB phase diagram.html
Calculate energy above the convex hull

Actions

Estimate magnetic moments and Ms from a CIF, Success

Structure

Formula: Fe₅BiB
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 7
Lattice a, b, c: 4.010 Å4.010 Å5.583 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 89.80 Å³
Density: 9.23 g/cm³

Properties

Saturation magnetization

1.44 TCHGNet
Estimate magnetic moments and Ms from a CIF

Attribution

ARR license

Fe5BiB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

13

Stats

Size: 961 B
Type: .cif file
Downloads: 1

Properties

Saturation magnetization

1.44 TCHGNet
Estimate magnetic moments and Ms from a CIF

50

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Actions

Estimate magnetic moments and Ms from a CIF, Success

DataData

DataData

Overview

Derived

Results

Fe5BiB (P4/mmm)

Overview

Structure

Attribution

Derived

Results

Actions

Structure

Properties

Saturation magnetization

Attribution

Stats

Properties

Saturation magnetization

Actions

Data

Data