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Fe12N (Pm)

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Overview

Created by route

Predict a crystal structure

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Fe12N (P-1) - DFT relaxed

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Structure

Formula: Fe₁₂N
Space group: Pm (6)
Crystal system: Monoclinic
Atoms per cell: 13
Lattice a, b, c: 4.274 Å5.134 Å6.605 Å
Angles α, β, γ: 89.99°90.04°89.97°
Volume: 144.94 Å³
Density: 7.84 g/cm³

Attribution

Derived

2

Results

2

Fe12N (P-1): Orb phase diagram (82 meV/atom above hull)Phase diagram
Calculate energy above the convex hull
Fe12N phase diagram.html
Calculate energy above the convex hull

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Structure

Formula: Fe₁₂N
Space group: Pm (6)
Crystal system: Monoclinic
Atoms per cell: 13
Lattice a, b, c: 4.274 Å5.134 Å6.605 Å
Angles α, β, γ: 89.99°90.04°89.97°
Volume: 144.94 Å³
Density: 7.84 g/cm³

Properties

Curie temperature

Energy above hull

0.082 eV/atomOrb v3 hull
Calculate energy above the convex hull

Formation energy

0.026 eV/atomOrb v3 hull
Calculate energy above the convex hull

Saturation magnetization

Attribution

ARR license

Crystalite predicted Fe12N (space group Pm #6, monoclinic)

18

Stats

Size: 1.3 KB
Type: .cif file
Downloads: 7

Properties

Curie temperature

Energy above hull

0.082 eV/atomOrb v3 hull
Calculate energy above the convex hull

Formation energy

0.026 eV/atomOrb v3 hull
Calculate energy above the convex hull

Saturation magnetization

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Connections

4

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Overview

Derived

Results

Fe12N (Pm)

Overview

Structure

Attribution

Derived

Results

Connections

Linked from

Actions

Structure

Properties

Curie temperature

Energy above hull

Formation energy

Saturation magnetization

Attribution

Stats

Properties

Curie temperature

Energy above hull

Formation energy

Saturation magnetization

Connections

Linked from

Actions

Data

Data