MnAgO2
MnAgO2 is a stable, semiconducting oxide material utilized in the study of oxygen-evolution catalysis.
About MnAgO2
MnAgO2 is a semiconducting oxide that sits on the convex hull, indicating significant thermodynamic stability. As a member of the oxygen-evolution catalyst family, it is a subject of interest for researchers looking to optimize electrochemical processes through robust material design.
The compound is characterized by a high degree of structural diversity, with numerous reported configurations across major materials databases. This structural richness makes it a compelling candidate for fundamental studies into how atomic arrangement influences catalytic performance in energy-related applications.
Key Properties
Cross-validated computational properties for MnAgO2, 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 MnAgO2. 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 MnAgO2, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.96 | 0.0000 | -6.907 | 6.47 |
| Cmcm (No. 63) | orthorhombic | 0.97 | 0.0005 | -6.906 | 6.49 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0441 | -6.863 | 6.14 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0442 | -6.862 | 6.12 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1322 | -1.221 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.1424 | -1.211 | — |
| R-3m (No. 166) | trigonal | 0.00 | 0.1427 | -1.211 | — |
| — | — | 0.55 | 0.3946 | -1.369 | — |
| — | — | 0.00 | 0.3982 | -1.366 | — |
| — | — | 0.00 | 0.4004 | -1.364 | — |
| — | — | 0.27 | 0.4455 | -1.319 | — |
| — | — | 0.00 | 0.4811 | -1.283 | — |
Applications
Where MnAgO2 is used.
Frequently Asked Questions
Common questions about MnAgO2, answered from cross-validated data.
What is MnAgO2?
MnAgO2 is a stable, semiconducting oxide material utilized in the study of oxygen-evolution catalysis.
What is MnAgO2 used for?
What is the band gap of MnAgO2?
Is MnAgO2 a metal, semiconductor, or insulator?
Is MnAgO2 thermodynamically stable?
What is the crystal structure of MnAgO2?
What is the density of MnAgO2?
How many polymorphs of MnAgO2 are known?
What elements does MnAgO2 contain?
Where does the data for MnAgO2 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the widely utilized LiCoO2 or LiMn2O4, which are primarily recognized for their role in battery intercalation, MnAgO2 occupies a distinct niche within the oxide catalyst class. While materials like LaMnO3 and NiO are standard benchmarks for oxygen-evolution reactions, MnAgO2 provides an alternative chemical landscape that leverages the unique electronic contributions of silver, setting it apart from the more common transition metal-only oxides.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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