Jun 29

template-Fe3P 1 - relaxed

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Overview

Created by route

Relax a crystal structure

1313

Structure

Formula: Fe₃P
Space group: I-4 (82)
Crystal system: Tetragonal
Atoms per cell: 16

Structure

Formula: Fe₃P
Space group: I-4 (82)
Crystal system: Tetragonal
Atoms per cell: 16

Lattice a, b, c

6.765 Å, 6.765 Å, 6.765 Å

Angles α, β, γ

95.99°, 96.00°, 142.29°

Volume

179.23 Å³

Density

7.36 g/cm³

Attribution

Connections

8

Included in datasets

Completed assets

Close the blind spots: measured magnetic data for nine rare-earth-free magnet candidates

Actions

Structure sanity card for a CIFerror
Estimate magnetic moments and Ms from a CIFsuccess
Predict Curie temperature from a CIFsuccess

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -128.7978 eV; energy change = -0.0805 eV; symmetry: I-4 → I-4

ARR license

13

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Size: 1.23 KB
Type: .cif file
Downloads: 0

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Created by route

Relax a crystal structure

47

Connections

8

Inputs

template-Fe3P 1.cif

Derived assets

Fe3P phase diagram 1.html

Referenced by

Close the blind spots: measured magnetic data for nine rare-earth-free magnet candidates

Included in datasets

Completed assets

Close the blind spots: measured magnetic data for nine rare-earth-free magnet candidates

Actions

Structure sanity card for a CIFerror
Estimate magnetic moments and Ms from a CIFsuccess
Predict Curie temperature from a CIFsuccess

DataData

DataData

Overview

template-Fe3P 1 - relaxed

Overview

Structure

Structure

Attribution

Connections

Inputs

Derived assets

Referenced by

Included in datasets

Completed assets

Actions

Stats

Connections

Inputs

Derived assets

Referenced by

Included in datasets

Completed assets

Actions

Data

Data