inJun 28

template-MgZn2MoWO6 - relaxed

Name: template-MgZn2MoWO6 - relaxed
Creator: will
Published: 2026-06-28T23:30:00.272631+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

Data Docs Logs

Overview

Version of · via Relax a crystal structure

template-MgZn2MoWO6

44

Structure

Formula: MgZn₂MoWO₆
Space group: R3 (146)
Crystal system: Trigonal
Atoms per cell: 11
Lattice a, b, c: 6.063 Å6.060 Å8.090 Å
Angles α, β, γ: 80.45°138.60°127.60°
Volume: 129.35 Å³
Density: 6.82 g/cm³

Attribution

Derived

1

Results

1

MgZn2MoWO6 phase diagram 1.html
Calculate energy above the convex hull

Connections

1

Included in datasets

CIF calculated properties

Actions

Structure

Formula: MgZn₂MoWO₆
Space group: R3 (146)
Crystal system: Trigonal
Atoms per cell: 11
Lattice a, b, c: 6.063 Å6.060 Å8.090 Å
Angles α, β, γ: 80.45°138.60°127.60°
Volume: 129.35 Å³
Density: 6.82 g/cm³

Attribution

ARR license

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -66.2710 eV; energy change = -0.0021 eV; symmetry: R3 → R3

4

Stats

Size: 1.05 KB
Type: .cif file
Downloads: 0

50

Join to comment

Connections

1

Included in datasets

CIF calculated properties

DataData

DataData

Overview

Derived

Results

template-MgZn2MoWO6 - relaxed

Overview

Structure

Attribution

Derived

Results

Connections

Included in datasets

Actions

Structure

Attribution

Stats

Connections

Included in datasets

Actions

Data

Data