DyMn2O5
DyMn2O5 is a stable semiconducting oxide material utilized in the study and development of catalysts for the oxygen evolution reaction.
About DyMn2O5
DyMn2O5 is a complex oxide belonging to the oxygen-evolution catalyst family. As a thermodynamically stable phase located on the convex hull, it exhibits robust structural integrity, making it a reliable candidate for electrochemical research. Its semiconducting electronic character allows for tunable charge transport properties essential for catalytic activity. This compound is primarily investigated for its role in facilitating the oxygen evolution reaction, a critical process for sustainable energy conversion technologies. By leveraging the interplay between the dysprosium and manganese sublattices, it offers a distinct platform for designing efficient catalysts that operate under demanding electrochemical conditions.
Key Properties
Cross-validated computational properties for DyMn2O5, aggregated across 5 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 DyMn2O5. 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 DyMn2O5, 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. |
|---|---|---|---|---|---|
| — | — | 1.28 | 0.0000 | -2.588 | — |
| Pbam (No. 55) | orthorhombic | 1.16 | 0.0000 | -8.613 | 6.72 |
| Pbam (No. 55) | orthorhombic | 0.15 | 0.0000 | -2.578 | — |
| Pbam (No. 55) | orthorhombic | — | — | — | 6.59 |
| Cmcm (No. 63) | orthorhombic | — | — | — | 6.22 |
Synthesis Routes
Literature-extracted synthesis procedures targeting DyMn2O5.
Applications
Where DyMn2O5 is used.
Frequently Asked Questions
Common questions about DyMn2O5, answered from cross-validated data.
What is DyMn2O5?
DyMn2O5 is a stable semiconducting oxide material utilized in the study and development of catalysts for the oxygen evolution reaction.
What is DyMn2O5 used for?
What is the band gap of DyMn2O5?
Is DyMn2O5 a metal, semiconductor, or insulator?
Is DyMn2O5 thermodynamically stable?
What is the crystal structure of DyMn2O5?
What is the density of DyMn2O5?
How many polymorphs of DyMn2O5 are known?
How is DyMn2O5 synthesized?
What elements does DyMn2O5 contain?
Where does the data for DyMn2O5 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse class of oxygen-evolution catalysts, DyMn2O5 stands out for its structural complexity compared to simpler binary oxides like NiO. While materials such as LiMn2O4 and LaMnO3 are widely recognized for their catalytic performance, DyMn2O5 provides a unique structural framework that differentiates it from the layered perovskite architectures found in LiCoO2 or LaNiO3, offering researchers an alternative pathway for optimizing surface reactivity.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- alexandria — Data from Alexandria. Cite: Schmidt et al., npj Comput. Mater. 10, 200 (2024). (CC-BY-4.0)
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