Co5NiO12

Co5NiO12 is a metastable semiconducting oxide utilized in the study of oxygen-evolution catalysis.

Crystal structure of Co5NiO12 (monoclinic, C2/m (No. 12))
Ground-state structure · Materials Project
Overview

About Co5NiO12

Co5NiO12 is a complex semiconducting oxide that functions within the class of oxygen-evolution catalysts. Its unique composition of cobalt and nickel suggests a specialized role in facilitating electrochemical reactions where efficient oxygen production is required. As a metastable phase, this compound represents a challenging yet scientifically significant material for researchers. Its electronic character and structural arrangement are key to understanding how it interacts with catalytic surfaces during energy-related processes.

At a glance

Key Properties

Cross-validated computational properties for Co5NiO12, aggregated across 3 databases.

Band Gap

1.15 eV
Range across DFT structures

Energy Above Hull

0.034 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Co5NiO12, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
C2/m (No. 12)monoclinic1.150.0343-6.5984.53
C2/m (No. 12)
C2/m (No. 12)Monoclinic5.07
C2/m (No. 12)Monoclinic4.53
C2/m (No. 12)Monoclinic4.69
Uses

Applications

Where Co5NiO12 is used.

Oxygen-evolution catalysisElectrochemical research
Reference

Frequently Asked Questions

Common questions about Co5NiO12, answered from cross-validated data.

What is Co5NiO12?

Co5NiO12 is a metastable semiconducting oxide utilized in the study of oxygen-evolution catalysis.

More questions
What is Co5NiO12 used for?
Co5NiO12 is used in oxygen-evolution catalysis and electrochemical research.
What is the band gap of Co5NiO12?
Co5NiO12 has a DFT-computed band gap of 1.15 eV across 5 reported structures.
Is Co5NiO12 a metal, semiconductor, or insulator?
With a band gap up to 1.15 eV it is a semiconductor.
Is Co5NiO12 thermodynamically stable?
Co5NiO12 has a lowest energy above hull of 0.034 eV/atom (metastable).
What is the crystal structure of Co5NiO12?
The lowest-energy reported polymorph of Co5NiO12 is monoclinic symmetry, space group C2/m (No. 12).
What is the density of Co5NiO12?
The computed density of the ground-state structure of Co5NiO12 is 4.53 g/cm³.
How many polymorphs of Co5NiO12 are known?
5 structures of Co5NiO12 are reported across 3 databases, spanning 1 distinct space group.
What elements does Co5NiO12 contain?
Co5NiO12 contains Co, Ni, and O (3 elements).
Where does the data for Co5NiO12 come from?
Co5NiO12 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Within the diverse family of oxide catalysts, Co5NiO12 occupies a distinct niche compared to more common, highly stable oxides like NiO or the layered lithium-based compounds such as LiCoO2 and LiNiO2. While many of its siblings are widely utilized in established battery technologies or stable catalytic frameworks, this specific cobalt-nickel oxide offers a different electronic profile that distinguishes it from the perovskite-structured members like LaNiO3 or LaMnO3.

Explore

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).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • mpaloe — Data from mpaloe.

Analyze Co5NiO12 in the Lattice Graph platform

Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.

Explore the Platform →