Er2Mn2O7
Er2Mn2O7 is a stable, semiconducting oxide material utilized in the study and development of oxygen-evolution catalysts.
About Er2Mn2O7
Er2Mn2O7 is a complex oxide featuring erbium and manganese, characterized by its semiconducting electronic structure. As a thermodynamically stable phase residing on the convex hull, it represents a robust material candidate for advanced electrochemical applications.
This compound belongs to the class of oxygen-evolution catalysts, where its structural integrity and electronic properties are leveraged to facilitate critical chemical reactions. Its status as a well-documented material across multiple databases underscores its importance in ongoing energy research.
Key Properties
Cross-validated computational properties for Er2Mn2O7, 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 Er2Mn2O7. 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 Er2Mn2O7, 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 | 1.20 | 0.0000 | -2.854 | — |
| Fd-3m (No. 227) | cubic | 1.02 | 0.0000 | -8.561 | 7.78 |
| — | — | 1.23 | 0.2424 | -2.812 | — |
| Fd-3m (No. 227) | cubic | — | — | — | 8.04 |
| Fd-3m (No. 227) | cubic | — | — | — | 7.77 |
| Fd-3m (No. 227) | cubic | — | — | — | 7.43 |
| Fd-3m (No. 227) | cubic | — | — | — | 7.68 |
Applications
Where Er2Mn2O7 is used.
Frequently Asked Questions
Common questions about Er2Mn2O7, answered from cross-validated data.
What is Er2Mn2O7?
Er2Mn2O7 is a stable, semiconducting oxide material utilized in the study and development of oxygen-evolution catalysts.
What is Er2Mn2O7 used for?
What is the band gap of Er2Mn2O7?
Is Er2Mn2O7 a metal, semiconductor, or insulator?
Is Er2Mn2O7 thermodynamically stable?
What is the crystal structure of Er2Mn2O7?
How many polymorphs of Er2Mn2O7 are known?
What elements does Er2Mn2O7 contain?
Where does the data for Er2Mn2O7 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse landscape of oxygen-evolution catalysts, Er2Mn2O7 offers a distinct structural alternative to more common perovskite-based oxides like LaMnO3 or LiCoO2. While many members of this class rely on transition metal-oxygen octahedra in perovskite frameworks, this compound utilizes a pyrochlore-type arrangement, providing unique catalytic pathways compared to the layered structures found in LiNiO2 or LiMn2O4.
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)
- 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.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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