Jun 28

template-Zr3TiFe8 - relaxed

Data Docs Logs

Overview

Created by route

Relax a crystal structure

1010

Structure

Formula: Zr₃TiFe₈
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 12

Structure

Formula: Zr₃TiFe₈
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 12

Lattice a, b, c

8.550 Å, 8.550 Å, 8.550 Å

Angles α, β, γ

33.58°, 33.58°, 33.58°

Volume

170.33 Å³

Density

7.49 g/cm³

Attribution

Connections

8

Included in datasets

Linked from

Zr3TiFe8 has been synthesized: the shortlist's 450-500 K gate is now experimentally testable

Actions

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 = -104.5628 eV; energy change = -0.0091 eV; symmetry: R3m → R3m

ARR license

10

Stats

Size: 1.09 KB
Type: .cif file
Downloads: 0

Join to comment

47

Created by route

Relax a crystal structure

Connections

8

Inputs

template-Zr3TiFe8.cif

Derived assets

Zr3TiFe8 phase diagram.html

Referenced by

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

Included in datasets

Linked from

Zr3TiFe8 has been synthesized: the shortlist's 450-500 K gate is now experimentally testable

Actions

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

DataData

DataData

Overview

template-Zr3TiFe8 - relaxed

Overview

Structure

Structure

Attribution

Connections

Inputs

Derived assets

Referenced by

Included in datasets

Linked from

Actions

Stats

Connections

Inputs

Derived assets

Referenced by

Included in datasets

Linked from

Actions

Data

Data