ErMnO3
erbium manganite
ErMnO3 is a thermodynamically stable semiconducting oxide utilized in the field of oxygen-evolution catalysis.
About erbium manganite
ErMnO3 is a semiconducting oxide that sits on the convex hull, indicating its high thermodynamic stability. As a member of the rare-earth manganite family, it is frequently investigated for its potential in electrochemical energy conversion processes.
This material is particularly relevant for oxygen-evolution catalysis, where its electronic structure facilitates the necessary surface reactions. Its stability and structural versatility make it a compelling candidate for researchers seeking alternatives to traditional transition metal oxide catalysts.
Key Properties
Cross-validated computational properties for erbium manganite, aggregated across 6 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 ErMnO3. 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 ErMnO3, 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 | 0.00 | 0.0000 | -8.797 | 7.39 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0000 | -2.887 | — |
| Pnma (No. 62) | orthorhombic | 1.05 | 0.0344 | -8.763 | 8.19 |
| — | — | 0.00 | 0.0545 | -3.007 | — |
| — | — | 0.00 | 0.0653 | -2.996 | — |
| — | — | 0.41 | 0.0887 | -2.973 | — |
| — | — | 0.00 | 0.1663 | -2.895 | — |
| — | — | 0.00 | 0.1683 | -2.893 | — |
| — | — | 0.00 | 0.1898 | -2.872 | — |
| — | — | 0.00 | 0.2419 | -2.820 | — |
| — | — | 0.00 | 0.2527 | -2.809 | — |
| P63cm (No. 185) | hexagonal | 0.00 | 0.3005 | -2.587 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting ErMnO3.
Applications
Where erbium manganite is used.
Frequently Asked Questions
Common questions about erbium manganite, answered from cross-validated data.
What is ErMnO3?
ErMnO3 is a thermodynamically stable semiconducting oxide utilized in the field of oxygen-evolution catalysis.
What is ErMnO3 used for?
What is the band gap of ErMnO3?
Is ErMnO3 a metal, semiconductor, or insulator?
Is ErMnO3 thermodynamically stable?
What is the crystal structure of ErMnO3?
What is the density of ErMnO3?
How many polymorphs of ErMnO3 are known?
How is ErMnO3 synthesized?
What elements does ErMnO3 contain?
Where does the data for ErMnO3 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the class of oxide oxygen-evolution catalysts, ErMnO3 occupies a distinct niche compared to more common perovskite-structured materials like LaMnO3 or LaNiO3. While materials like LiCoO2 and LiMn2O4 are primarily recognized for their roles in battery technologies, ErMnO3 leverages its specific electronic character to contribute to the broader landscape of electrocatalytic oxides alongside siblings like BiFeO3 and La2NiO4.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)
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