Dy2Mn2O7
Dy2Mn2O7 is a stable semiconducting oxide utilized in the development of oxygen-evolution catalysts for electrochemical applications.
About Dy2Mn2O7
Dy2Mn2O7 is a complex oxide belonging to the oxygen-evolution catalyst family. As a thermodynamically stable phase located on the convex hull, it exhibits a robust structural framework that makes it a subject of interest for catalytic applications. Its semiconducting electronic character provides a unique platform for studying charge transfer processes essential for water splitting and related electrochemical reactions. The compound is well-documented across multiple structural databases, reflecting its significance in materials science research. It serves as a critical component in the ongoing effort to develop efficient, durable catalysts for sustainable energy storage and conversion technologies.
Key Properties
Cross-validated computational properties for Dy2Mn2O7, aggregated across 3 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 Dy2Mn2O7. 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 Dy2Mn2O7, 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. |
|---|---|---|---|---|---|
| Fd-3m (No. 227) | cubic | 1.08 | 0.0000 | -2.830 | — |
| Fd-3m (No. 227) | cubic | 0.90 | 0.0000 | -8.548 | 7.49 |
| Fd-3m (No. 227) | cubic | — | — | — | 7.19 |
| Fd-3m (No. 227) | cubic | — | — | — | 7.80 |
| Fd-3m (No. 227) | cubic | — | — | — | 7.48 |
Applications
Where Dy2Mn2O7 is used.
Frequently Asked Questions
Common questions about Dy2Mn2O7, answered from cross-validated data.
What is Dy2Mn2O7?
Dy2Mn2O7 is a stable semiconducting oxide utilized in the development of oxygen-evolution catalysts for electrochemical applications.
What is Dy2Mn2O7 used for?
What is the band gap of Dy2Mn2O7?
Is Dy2Mn2O7 a metal, semiconductor, or insulator?
Is Dy2Mn2O7 thermodynamically stable?
What is the crystal structure of Dy2Mn2O7?
How many polymorphs of Dy2Mn2O7 are known?
What elements does Dy2Mn2O7 contain?
Where does the data for Dy2Mn2O7 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse landscape of oxygen-evolution catalysts, Dy2Mn2O7 distinguishes itself from more common transition metal oxides like NiO or LaMnO3 through its specific rare-earth manganese composition. While materials such as LiCoO2 or LiMn2O4 are primarily recognized for their roles in battery cathodes, Dy2Mn2O7 occupies a specialized niche where its stable, semiconducting nature is leveraged for electrocatalytic performance rather than ion intercalation.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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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