MnAgO4
MnAgO4 is a semiconducting oxide compound studied for its potential function as a catalyst in oxygen-evolution reactions.
About MnAgO4
MnAgO4 is a complex oxide belonging to the class of oxygen-evolution catalysts. As a semiconducting material, it is of significant interest for its potential to facilitate electrochemical water-splitting reactions, where electronic structure plays a critical role in reaction kinetics.
Despite its potential, the compound is characterized by its position above the thermodynamic hull, suggesting it is metastable. Its structural landscape is relatively diverse, with multiple reported configurations that provide researchers with a variety of pathways to study its catalytic performance.
Key Properties
Cross-validated computational properties for MnAgO4, 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 MnAgO4. 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 MnAgO4, 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. |
|---|---|---|---|---|---|
| Imma (No. 74) | orthorhombic | 0.16 | 0.0000 | -1.080 | — |
| P21/c (No. 14) | monoclinic | 0.69 | 0.1785 | -6.188 | 4.44 |
| Pnma (No. 62) | orthorhombic | 0.99 | 0.2329 | -6.134 | 4.15 |
| — | — | 0.55 | 0.5231 | -0.770 | — |
| — | — | 0.33 | 0.5354 | -0.757 | — |
| — | — | 0.33 | 0.5574 | -0.736 | — |
| — | — | 0.00 | 0.5865 | -0.706 | — |
| P21/c (No. 14) | monoclinic | 0.31 | 0.8526 | -5.514 | 3.96 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.54 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.44 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.78 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.51 |
Applications
Where MnAgO4 is used.
Frequently Asked Questions
Common questions about MnAgO4, answered from cross-validated data.
What is MnAgO4?
MnAgO4 is a semiconducting oxide compound studied for its potential function as a catalyst in oxygen-evolution reactions.
What is MnAgO4 used for?
What is the band gap of MnAgO4?
Is MnAgO4 a metal, semiconductor, or insulator?
Is MnAgO4 thermodynamically stable?
What is the crystal structure of MnAgO4?
What is the density of MnAgO4?
How many polymorphs of MnAgO4 are known?
What elements does MnAgO4 contain?
Where does the data for MnAgO4 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse family of oxygen-evolution catalysts, MnAgO4 represents a more specialized, metastable alternative to the highly stable and widely utilized LiMn2O4 or LaMnO3. While many of its siblings are established benchmarks in battery and catalytic research, MnAgO4 offers a unique electronic environment that distinguishes it from the more common perovskite and spinel oxides in the class.
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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