DyMnO3
DyMnO3 is a stable semiconducting oxide material utilized in the study and development of oxygen-evolution catalysts for electrochemical applications.
About DyMnO3
DyMnO3 is a thermodynamically stable semiconducting oxide that belongs to the broader class of oxygen-evolution catalysts. Its structural integrity and electronic properties make it a subject of interest for researchers investigating efficient pathways for electrochemical water oxidation.
As a member of the rare-earth manganite family, this compound is valued for its potential in catalytic applications where stable, earth-abundant materials are required. Its presence on the convex hull underscores its robustness, providing a reliable platform for studying surface-mediated oxygen reactions in energy-conversion technologies.
Key Properties
Cross-validated computational properties for DyMnO3, 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 DyMnO3. 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 DyMnO3, 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. |
|---|---|---|---|---|---|
| P63cm (No. 185) | hexagonal | 1.15 | 0.0000 | -8.782 | 7.10 |
| — | — | 0.00 | 0.0000 | -2.984 | — |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0000 | -2.876 | — |
| — | — | 0.52 | 0.0219 | -2.963 | — |
| Pnma (No. 62) | orthorhombic | 1.00 | 0.0223 | -8.760 | 7.52 |
| — | — | 0.53 | 0.0226 | -2.962 | — |
| — | — | 0.00 | 0.0921 | -2.892 | — |
| — | — | 0.00 | 0.0926 | -2.892 | — |
| — | — | 0.00 | 0.1086 | -2.876 | — |
| — | — | 0.00 | 0.1605 | -2.824 | — |
| — | — | 0.00 | 0.1921 | -2.792 | — |
| — | — | 0.00 | 0.2603 | -2.724 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting DyMnO3.
Applications
Where DyMnO3 is used.
Frequently Asked Questions
Common questions about DyMnO3, answered from cross-validated data.
What is DyMnO3?
DyMnO3 is a stable semiconducting oxide material utilized in the study and development of oxygen-evolution catalysts for electrochemical applications.
What is DyMnO3 used for?
What is the band gap of DyMnO3?
Is DyMnO3 a metal, semiconductor, or insulator?
Is DyMnO3 thermodynamically stable?
What is the crystal structure of DyMnO3?
What is the density of DyMnO3?
How many polymorphs of DyMnO3 are known?
How is DyMnO3 synthesized?
What elements does DyMnO3 contain?
Where does the data for DyMnO3 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse group of oxygen-evolution catalysts, DyMnO3 shares structural and electronic parallels with LaMnO3, another prominent manganite. While materials like LiCoO2 and LiNiO2 are heavily utilized in battery cathode applications, DyMnO3 is distinguished by its specific magnetic and semiconducting characteristics, which offer different catalytic pathways compared to the more metallic-leaning LaNiO3 or the spinel-structured LiMn2O4.
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)
- 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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