inJul 31

Fe2B (Cmcm)

Data Docs Logs

Overview

Created by route

Generate a crystal structure using GGen

Has a version

Fe2B (Cmcm) - relaxed

2323

Structure

Formula: Fe₂B
Space group: Cmcm (63)
Crystal system: Orthorhombic
Atoms per cell: 12
Lattice a, b, c: 2.871 Å13.331 Å2.911 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 111.43 Å³
Density: 7.30 g/cm³

Attribution

Derived

3

Results

3

Fe2B (Cmcm): Orb phase diagram (87 meV/atom above hull)Phase diagram
Calculate energy above the convex hull
Fe2B (Cmcm) - phonon dispersionImage
Calculate phonon dispersion and band structure
Fe2B phase diagram 1.html
Calculate energy above the convex hull

Connections

2

Linked from

Actions

Structure

Formula: Fe₂B
Space group: Cmcm (63)
Crystal system: Orthorhombic
Atoms per cell: 12
Lattice a, b, c: 2.871 Å13.331 Å2.911 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 111.43 Å³
Density: 7.30 g/cm³

Properties

Attribution

ARR license

Fe2B (requested SG: P4/nmm #129, calculated: Cmcm #63, optimized: 402 steps, cell relaxed, symmetry refined)

23

Stats

Size: 1.13 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

648 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Magnetic moment

1.43 μB/atomABACUS DFT
Magnetic moments

Saturation magnetization

1.80 TABACUS DFT
Magnetic moments

Join to comment

50

Connections

2

DataData

DataData

Overview

Derived

Results

Fe2B (Cmcm)

Overview

Structure

Attribution

Derived

Results

Connections

Linked from

Actions

Structure

Properties

Curie temperature

Magnetic moment

Saturation magnetization

Attribution

Stats

Properties

Curie temperature

Magnetic moment

Saturation magnetization

Connections

Linked from

Actions

Data

Data