Jun 28

template-Mg(CoO2)4 1

Name: template-Mg(CoO2)4 1
Creator: will
Published: 2026-06-28T16:29:27.609+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Overview

99

Structure

Formula: MgCo₄O₈
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 13

Structure

Formula: MgCo₄O₈
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 13

Connections

2

Derived assets

template-Mg(CoO2)4 1 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -76.0998 eV; energy change = -0.0129 eV; symmetry: R-3m → R-3m

Included in datasets

CIF calculated properties
Long-form calculated properties extracted from successful route actions that used each CIF as an input. Columns fileid / actionid / route_id are Ouro references.

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Lattice a, b, c

5.911 Å, 5.803 Å, 5.774 Å

Angles α, β, γ

120.16°, 119.36°, 90.05°

Volume

141.00 Å³

Density

4.57 g/cm³

Attribution

ARR license

9

Stats

Size: 1.33 KB
Type: .cif file
Downloads: 1

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47

Connections

2

Derived assets

template-Mg(CoO2)4 1 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -76.0998 eV; energy change = -0.0129 eV; symmetry: R-3m → R-3m

Included in datasets

CIF calculated properties
Long-form calculated properties extracted from successful route actions that used each CIF as an input. Columns fileid / actionid / route_id are Ouro references.

ActionsTools that work with this file

DataData

DataData

Overview

template-Mg(CoO2)4 1

Overview

Structure

Structure

Connections

Derived assets

Included in datasets

Available for this file

Attribution

Stats

Connections

Derived assets

Included in datasets

Available for this file

Data

Data