C1Co1O3

Cobalt carbonate · Cobalt(II) carbonate

Cobalt carbonate is a stable, semiconducting inorganic compound used as a catalyst in electrochemical oxygen-evolution processes.

Crystal structure of C1Co1O3 (trigonal, R-3c (No. 167))
Ground-state structure · Materials Project
Overview

About Cobalt carbonate

Cobalt carbonate is a semiconducting compound within the oxide oxygen-evolution catalyst family. As a thermodynamically stable phase, it maintains a robust structural integrity that is essential for consistent performance in catalytic environments.

Its significance lies in its ability to facilitate complex electrochemical reactions, making it a subject of interest for researchers optimizing energy conversion processes. The material's electronic character allows for efficient charge transfer, which is a critical requirement for effective catalytic activity.

At a glance

Key Properties

Cross-validated computational properties for Cobalt carbonate, aggregated across 3 databases.

Band Gap

0.51–1.55 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

8
3 databases, 5 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for C1Co1O3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
R-3c (No. 167)trigonal0.000.0000-7.9074.29
P21/c (No. 14)monoclinic0.510.1144-7.5652.90
C2/c (No. 15)monoclinic1.550.4215-7.4861.65
P21/c (No. 14)monoclinic0.000.4446-7.2352.11
C2/c (No. 15)monoclinic0.000.6179-7.0613.02
Pm-3m (No. 221)
Pm-3m (No. 221)
No. 0unknown0.40
Uses

Applications

Where Cobalt carbonate is used.

Oxygen-evolution catalysisElectrochemical energy conversionPigment manufacturingCobalt salt precursor
Reference

Frequently Asked Questions

Common questions about Cobalt carbonate, answered from cross-validated data.

What is C1Co1O3?

Cobalt carbonate is a stable, semiconducting inorganic compound used as a catalyst in electrochemical oxygen-evolution processes.

More questions
What is C1Co1O3 used for?
Cobalt carbonate (C1Co1O3) is used in oxygen-evolution catalysis, electrochemical energy conversion, pigment manufacturing, and cobalt salt precursor.
What is the band gap of C1Co1O3?
Cobalt carbonate (C1Co1O3) has a DFT-computed band gap of 0.51–1.55 eV across 8 reported structures.
Is C1Co1O3 a metal, semiconductor, or insulator?
With a band gap up to 1.55 eV it is a semiconductor.
Is C1Co1O3 thermodynamically stable?
Yes — Cobalt carbonate (C1Co1O3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of C1Co1O3?
The lowest-energy reported polymorph of Cobalt carbonate (C1Co1O3) is trigonal symmetry, space group R-3c (No. 167).
What is the density of C1Co1O3?
The computed density of the ground-state structure of Cobalt carbonate (C1Co1O3) is 4.29 g/cm³.
How many polymorphs of C1Co1O3 are known?
8 structures of C1Co1O3 are reported across 3 databases, spanning 5 distinct space groups.
What elements does C1Co1O3 contain?
Cobalt carbonate (C1Co1O3) contains C, Co, and O (3 elements).
Where does the data for C1Co1O3 come from?
C1Co1O3 data is cross-referenced from materials_project, aflow, cod.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Compared to complex transition metal oxides like LiCoO2 or LaMnO3, cobalt carbonate offers a distinct structural profile that influences its catalytic behavior. While many members of this class are perovskite-structured or layered oxides, this compound provides a different chemical environment that can be leveraged to tune the oxygen-evolution reaction kinetics in specific electrochemical systems.

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Related Compounds

Other Oxide Oxygen-Evolution Catalysts in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).

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