YMn2O5

YMn2O5 is a stable, semiconducting oxide material utilized in electrochemical research for oxygen-evolution catalysis.

Crystal structure of YMn2O5 (orthorhombic, Pbam (No. 55))
Ground-state structure · Materials Project
Overview

About YMn2O5

YMn2O5 is a complex oxide featuring a semiconducting electronic character. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural configuration within the broader family of manganese-based oxides. Its unique crystal framework allows for versatile coordination environments that are critical for catalytic performance.

This material is primarily investigated for its role in oxygen-evolution catalysis, where its stability and electronic properties are leveraged to facilitate electrochemical reactions. It serves as a functional component in advanced materials research aimed at improving the efficiency of energy storage and conversion systems.

At a glance

Key Properties

Cross-validated computational properties for YMn2O5, aggregated across 2 databases.

Band Gap

1.16 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

4
2 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for YMn2O5, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pbam (No. 55)orthorhombic1.160.0000-8.8305.30
Pbam (No. 55)Orthorhombic5.06
Pbam (No. 55)Orthorhombic5.31
Pbam (No. 55)Orthorhombic5.63
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting YMn2O5.

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

Applications

Where YMn2O5 is used.

Oxygen-evolution catalysisEnergy storage researchElectrochemical conversion systems
Reference

Frequently Asked Questions

Common questions about YMn2O5, answered from cross-validated data.

What is YMn2O5?

YMn2O5 is a stable, semiconducting oxide material utilized in electrochemical research for oxygen-evolution catalysis.

More questions
What is YMn2O5 used for?
YMn2O5 is used in oxygen-evolution catalysis, energy storage research, and electrochemical conversion systems.
What is the band gap of YMn2O5?
YMn2O5 has a DFT-computed band gap of 1.16 eV across 4 reported structures.
Is YMn2O5 a metal, semiconductor, or insulator?
With a band gap up to 1.16 eV it is a semiconductor.
Is YMn2O5 thermodynamically stable?
Yes — YMn2O5 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of YMn2O5?
The lowest-energy reported polymorph of YMn2O5 is orthorhombic symmetry, space group Pbam (No. 55).
What is the density of YMn2O5?
The computed density of the ground-state structure of YMn2O5 is 5.30 g/cm³.
How many polymorphs of YMn2O5 are known?
4 structures of YMn2O5 are reported across 2 databases, spanning 1 distinct space group.
How is YMn2O5 synthesized?
Literature-reported routes for YMn2O5 include sol-gel (2 procedures documented).
What elements does YMn2O5 contain?
YMn2O5 contains Mn, O, and Y (3 elements).
Where does the data for YMn2O5 come from?
YMn2O5 data is cross-referenced from materials_project, mpaloe.
Comparison

How It Compares

Within the oxide oxygen-evolution catalysts class.

Within the diverse class of oxygen-evolution catalysts, YMn2O5 occupies a distinct niche compared to more common spinel structures like LiMn2O4 or layered oxides such as LiCoO2. While many members of this class are optimized for lithium-ion battery electrodes, YMn2O5 is specifically noted for its structural stability and semiconducting nature, which differentiates it from the highly conductive metallic-like behavior found in perovskites such as LaNiO3.

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).
  • mpaloe — Data from mpaloe.

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