Jan 1

CoFe5Mn (P6mm)

Data Docs Logs

Overview

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Structure

Formula: MnFe₅Co
Space group: P6mm (183)
Crystal system: Hexagonal
Atoms per cell: 7

Structure

Formula: MnFe₅Co
Space group: P6mm (183)
Crystal system: Hexagonal
Atoms per cell: 7

Lattice a, b, c

4.561 Å, 4.561 Å, 4.545 Å

Angles α, β, γ

90.00°, 90.00°, 120.00°

Volume

81.86 Å³

Density

7.97 g/cm³

Attribution

Connections

3

Derived assets

Actions

Extract crystal structure metadatasuccess
Estimate magnetic moments and Ms from a CIFsuccess

Ggen exploration exploration_Co-Fe-Mn_20260101_230157

CC-BY-4.0 license

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Stats

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

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.

47

Connections

3

Derived assets

Actions

Extract crystal structure metadatasuccess
Estimate magnetic moments and Ms from a CIFsuccess

DataData

DataData

Overview

CoFe5Mn (P6mm)

Overview

Structure

Structure

Attribution

Connections

Derived assets

Actions

Stats

Connections

Derived assets

Actions

Data

Data