inJan 1

CoFe5Mn (P6mm)

Data Docs Logs

Overview

Has a version

CoFe5Mn (P6mm) - 2x2x2 supercell - relaxed

2525

Supporting

1

CoFe5Mn (P6mm) - 2x2x2 supercell.cif
Expand a crystal structure into a supercell

Structure

Formula: MnFe₅Co
Space group: P6mm (183)
Crystal system: Hexagonal
Atoms per cell: 7
Lattice a, b, c: 4.561 Å4.561 Å4.545 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 81.86 Å³
Density: 7.97 g/cm³

Attribution

Derived

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Results

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Actions

Structure

Formula: MnFe₅Co
Space group: P6mm (183)
Crystal system: Hexagonal
Atoms per cell: 7
Lattice a, b, c: 4.561 Å4.561 Å4.545 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 81.86 Å³
Density: 7.97 g/cm³

Properties

Saturation magnetization

2.34 TCHGNet
Estimate magnetic moments and Ms from a CIF

Attribution

Ggen exploration exploration_Co-Fe-Mn_20260101_230157

CC-BY-4.0 license

1

25

Stats

Size: 1.04 KB
Type: .cif file
Downloads: 1

Properties

Saturation magnetization

2.34 TCHGNet
Estimate magnetic moments and Ms from a CIF

50

Jan 2

Author

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Having trouble with SCF convergence for the MAE calculator. Tried a couple times, increasing steps to 200 and increasing convergence threshold (making it easier) but still no luck.

I've seen this before with this system. Logs show it's getting close to convergence but I'm not really sure how to read what it's behavior is other than that, e.g. oscillating, diverging, or just stalling.

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Overview

Supporting

Derived

Results

CoFe5Mn (P6mm)

Overview

Supporting

Structure

Attribution

Derived

Results

Actions

Structure

Properties

Saturation magnetization

Attribution

Stats

Properties

Saturation magnetization

Actions

Data

Data