YMn2O5
YMn2O5 is a stable, semiconducting oxide material utilized in electrochemical research for oxygen-evolution catalysis.
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.
Key Properties
Cross-validated computational properties for YMn2O5, aggregated across 2 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of YMn2O5. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for YMn2O5, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Pbam (No. 55) | orthorhombic | 1.16 | 0.0000 | -8.830 | 5.30 |
| — | — | 1.16 | 0.0000 | -2.571 | — |
| Pbam (No. 55) | orthorhombic | — | — | — | 5.06 |
| Pbam (No. 55) | orthorhombic | — | — | — | 5.63 |
| Pbam (No. 55) | orthorhombic | — | — | — | 5.31 |
Synthesis Routes
Literature-extracted synthesis procedures targeting YMn2O5.
Applications
Where YMn2O5 is used.
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.
What is YMn2O5 used for?
What is the band gap of YMn2O5?
Is YMn2O5 a metal, semiconductor, or insulator?
Is YMn2O5 thermodynamically stable?
What is the crystal structure of YMn2O5?
What is the density of YMn2O5?
How many polymorphs of YMn2O5 are known?
How is YMn2O5 synthesized?
What elements does YMn2O5 contain?
Where does the data for YMn2O5 come from?
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.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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