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Jun 29

template-Fe(CuN)3 - relaxed

Data Docs Logs

Overview

Created by route

Relax a crystal structure

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Structure

Formula: FeCu₃N₃
Space group: P6_3/m (176)
Crystal system: Hexagonal
Atoms per cell: 14

Structure

Formula: FeCu₃N₃
Space group: P6_3/m (176)
Crystal system: Hexagonal
Atoms per cell: 14

Lattice a, b, c

7.821 Å, 7.843 Å, 3.391 Å

Angles α, β, γ

90.02°, 90.02°, 119.81°

Volume

180.45 Å³

Density

5.31 g/cm³

Attribution

Connections

4

Inputs

template-Fe(CuN)3.cif

Derived assets

Fe(CuN)3 phase diagram.html

Included in datasets

RE-free permanent magnet candidates
CIF calculated properties

Actions

Estimate magnetic moments and Ms from a CIFsuccess
Predict Curie temperature from a CIFsuccess

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -85.1015 eV; energy change = -1.2393 eV; symmetry: P6_3/m → P6_3/m

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template-Fe(CuN)3 - relaxed · FeCu3N3 P6_3/m crystal structure · Files on Ouro

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Size: 1.16 KB
Type: .cif file
Downloads: 0

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Created by route

Relax a crystal structure

Connections

4

Inputs

template-Fe(CuN)3.cif

Derived assets

Fe(CuN)3 phase diagram.html

Included in datasets

RE-free permanent magnet candidates
CIF calculated properties

Actions

Estimate magnetic moments and Ms from a CIFsuccess
Predict Curie temperature from a CIFsuccess

DataData

DataData

Overview

template-Fe(CuN)3 - relaxed

Overview

Structure

Structure

Attribution

Connections

Inputs

Derived assets

Included in datasets

Actions

Stats

Connections

Inputs

Derived assets

Included in datasets

Actions

Data

Data