inJul 30

gen_1 FeCo - relaxed

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Overview

Version of · via Relax a crystal structure

gen_1 FeCo

2525

Structure

Formula: FeCo
Space group: Cmm2 (35)
Crystal system: Orthorhombic
Atoms per cell: 16
Lattice a, b, c: 2.834 Å4.024 Å16.008 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 182.56 Å³
Density: 8.35 g/cm³

Attribution

Derived

1

Results

1

FeCo phase diagram.html
Calculate energy above the convex hull

Connections

1

Referenced by

MAE Testing III

Actions

Structure

Formula: FeCo
Space group: Cmm2 (35)
Crystal system: Orthorhombic
Atoms per cell: 16
Lattice a, b, c: 2.834 Å4.024 Å16.008 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 182.56 Å³
Density: 8.35 g/cm³

Properties

Saturation magnetization

2.24 TCHGNet
Estimate magnetic moments and Ms from a CIF

Attribution

ARR license

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -124.3761 eV; energy change = -0.0025 eV; symmetry: Cmm2 → Cmm2

1

25

Stats

Size: 1.07 KB
Type: .cif file
Downloads: 0

Properties

Saturation magnetization

2.24 TCHGNet
Estimate magnetic moments and Ms from a CIF

Nov 5

Author

Join to comment

MAE testing:
Unable to converge after 100 iterations. Will try again later.

50

Connections

1

Referenced by

MAE Testing III

DataData

DataData

Overview

Derived

Results

gen_1 FeCo - relaxed

Overview

Structure

Attribution

Derived

Results

Connections

Referenced by

Actions

Structure

Properties

Saturation magnetization

Attribution

Stats

Properties

Saturation magnetization

Connections

Referenced by

Actions

Data

Data