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gen_4 FeCoGa - relaxed

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Overview

Version of · via Relax a crystal structure

gen_4 FeCoGa

2020

Supporting

1

gen_4 FeCoGa - relaxed - 2x2x2 supercell.cif
Expand a crystal structure into a supercell

Structure

Formula: GaFe₂Co
Space group: P4mm (99)
Crystal system: Tetragonal
Atoms per cell: 4
Lattice a, b, c: 2.891 Å2.891 Å5.677 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 47.45 Å³
Density: 8.41 g/cm³

Attribution

Derived

2

Results

2

Connections

1

Referenced by

MAE Testing II

Actions

Structure

Formula: GaFe₂Co
Space group: P4mm (99)
Crystal system: Tetragonal
Atoms per cell: 4
Lattice a, b, c: 2.891 Å2.891 Å5.677 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 47.45 Å³
Density: 8.41 g/cm³

Properties

Saturation magnetization

1.43 TCHGNet
Estimate magnetic moments and Ms from a CIF

Attribution

ARR license

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -27.4767 eV; energy change = -0.0010 eV; symmetry: P4mm → P4mm

20

Stats

Size: 907 B
Type: .cif file
Downloads: 0

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Properties

Saturation magnetization

1.43 TCHGNet
Estimate magnetic moments and Ms from a CIF

50

Connections

1

Referenced by

MAE Testing II

DataData

DataData

Overview

Supporting

Derived

Results

gen_4 FeCoGa - relaxed

Overview

Supporting

Structure

Attribution

Derived

Results

Connections

Referenced by

Actions

Structure

Properties

Saturation magnetization

Attribution

Stats

Properties

Saturation magnetization

Connections

Referenced by

Actions

Data

Data