inJul 21

Fe3CoN - relaxed

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Version of · via Relax a crystal structure

Fe3CoN

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Structure

Formula: Fe₃CoN
Space group: Pm-3m (221)
Crystal system: Cubic
Atoms per cell: 5
Lattice a, b, c: 3.782 Å3.782 Å3.782 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 54.11 Å³
Density: 7.38 g/cm³

Attribution

Derived

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Results

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Connections

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Referenced by

MAE Testing the Treequest Search

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Structure

Formula: Fe₃CoN
Space group: Pm-3m (221)
Crystal system: Cubic
Atoms per cell: 5
Lattice a, b, c: 3.782 Å3.782 Å3.782 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 54.11 Å³
Density: 7.38 g/cm³

Properties

Energy above hull

Formation energy

Saturation magnetization

1.57 TCHGNet
Estimate magnetic moments and Ms from a CIF

Attribution

ARR license

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -40.7885 eV; energy change = 0.0000 eV; symmetry: Pm-3m → Pm-3m

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Stats

Size: 1.53 KB
Type: .cif file
Downloads: 0

Properties

Energy above hull

Formation energy

Saturation magnetization

1.57 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Connections

1

Referenced by

MAE Testing the Treequest Search

DataData

DataData

Overview

Derived

Results

Fe3CoN - relaxed

Overview

Structure

Attribution

Derived

Results

Connections

Referenced by

Actions

Structure

Properties

Energy above hull

Formation energy

Saturation magnetization

Attribution

Stats

Properties

Energy above hull

Formation energy

Saturation magnetization

Connections

Referenced by

Actions

Data

Data