inJun 28

template-MgCrS2 - relaxed

Name: template-MgCrS2 - relaxed
Creator: will
Published: 2026-06-28T22:00:59.705743+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

Data Docs Logs

Overview

Version of · via Relax a crystal structure

template-MgCrS2

1313

Structure

Formula: MgCrS₂
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 4
Lattice a, b, c: 6.554 Å6.554 Å6.554 Å
Angles α, β, γ: 31.81°31.81°31.81°
Volume: 69.47 Å³
Density: 3.36 g/cm³

Attribution

Connections

1

Included in datasets

RE-free permanent magnet candidates

Actions

Structure

Formula: MgCrS₂
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 4
Lattice a, b, c: 6.554 Å6.554 Å6.554 Å
Angles α, β, γ: 31.81°31.81°31.81°
Volume: 69.47 Å³
Density: 3.36 g/cm³

Attribution

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -22.6433 eV; energy change = -0.0016 eV; symmetry: R3m → R3m

ARR license

13

Stats

Size: 789 B
Type: .cif file
Downloads: 0

Join to comment

50

Connections

1

Included in datasets

RE-free permanent magnet candidates

DataData

DataData

Overview

template-MgCrS2 - relaxed

Overview

Structure

Attribution

Connections

Included in datasets

Actions

Structure

Attribution

Stats

Connections

Included in datasets

Actions

Data

Data