YCoO3

YCoO3 is a stable, semiconducting oxide material utilized primarily in the study of oxygen-evolution catalysis for electrochemical applications.

Crystal structure of YCoO3 (orthorhombic, Pnma (No. 62))
Ground-state structure · Materials Project
Overview

About YCoO3

YCoO3 is a semiconducting oxide that sits firmly on the thermodynamic convex hull, indicating high structural stability. As a member of the oxide oxygen-evolution catalyst class, it serves as a critical subject for understanding charge transfer and surface reactivity in electrochemical systems.

The material is characterized by its robust structural framework, which has been extensively cataloged across multiple databases. Its electronic properties make it a compelling candidate for investigations into efficient water-splitting technologies and advanced catalytic processes.

At a glance

Key Properties

Cross-validated computational properties for YCoO3, aggregated across 3 databases.

Band Gap

0.11–0.83 eV
Range across DFT structures

Energy Above Hull

0.001 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

20
3 databases, 6 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for YCoO3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pnma (No. 62)orthorhombic0.000.0007-8.2886.32
P-1 (No. 2)triclinic0.350.0117-8.2785.73
P21/c (No. 14)monoclinic0.110.0155-8.2745.77
P63cm (No. 185)hexagonal0.010.0227-8.2665.19
P63/mmc (No. 194)hexagonal0.000.1063-8.1835.08
Pm-3m (No. 221)cubic0.830.2310-8.0585.99
Pm-3m (No. 221)
P63cm (No. 185)Hexagonal5.53
Pnma (No. 62)
P63/mmc (No. 194)Hexagonal5.08
P63cm (No. 185)Hexagonal5.19
P63/mmc (No. 194)
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting YCoO3.

Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Uses

Applications

Where YCoO3 is used.

Oxygen-evolution catalysisElectrochemical water splittingSolid-state electronic research
Reference

Frequently Asked Questions

Common questions about YCoO3, answered from cross-validated data.

What is YCoO3?

YCoO3 is a stable, semiconducting oxide material utilized primarily in the study of oxygen-evolution catalysis for electrochemical applications.

More questions
What is YCoO3 used for?
YCoO3 is used in oxygen-evolution catalysis, electrochemical water splitting, and solid-state electronic research.
What is the band gap of YCoO3?
YCoO3 has a DFT-computed band gap of 0.11–0.83 eV across 20 reported structures.
Is YCoO3 a metal, semiconductor, or insulator?
With a band gap up to 0.83 eV it is a semiconductor.
Is YCoO3 thermodynamically stable?
Yes — YCoO3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of YCoO3?
The lowest-energy reported polymorph of YCoO3 is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of YCoO3?
The computed density of the ground-state structure of YCoO3 is 6.32 g/cm³.
How many polymorphs of YCoO3 are known?
20 structures of YCoO3 are reported across 3 databases, spanning 6 distinct space groups.
How is YCoO3 synthesized?
Literature-reported routes for YCoO3 include sol-gel (2 procedures documented).
What elements does YCoO3 contain?
YCoO3 contains Co, O, and Y (3 elements).
Where does the data for YCoO3 come from?
YCoO3 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 oxygen-evolution catalysts, YCoO3 occupies a unique niche compared to more common battery-related oxides like LiCoO2 or LiMn2O4. While materials such as LaMnO3 and LaNiO3 are frequently studied for their perovskite-related catalytic activity, YCoO3 provides a distinct structural alternative that helps researchers map the broader landscape of cobalt-based oxide performance.

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.

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