MnPbO3
MnPbO3 is a metastable semiconducting oxide utilized in the study of oxygen-evolution catalysis.
About MnPbO3
MnPbO3 is a semiconducting oxide that functions within the class of oxygen-evolution catalysts. Its metastable nature makes it a subject of significant interest for researchers aiming to understand phase stability and catalytic activity in complex oxide systems. The material is characterized by a diverse structural landscape, with numerous reported configurations across multiple databases. This structural variety suggests potential for tuning its electronic properties to optimize performance in electrochemical applications. As a member of the broader family of transition metal oxides, it serves as a platform for exploring the interplay between lead and manganese in catalytic processes.
Key Properties
Cross-validated computational properties for MnPbO3, 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 MnPbO3. 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 MnPbO3, 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/c (No. 15) | monoclinic | 0.23 | 0.0000 | -1.605 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0535 | -1.551 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0537 | -1.551 | — |
| P2/c (No. 13) | monoclinic | 0.00 | 0.0601 | -7.199 | 6.49 |
| P2/c (No. 13) | monoclinic | 0.00 | 0.0608 | -1.544 | — |
| C2/c (No. 15) | monoclinic | 0.50 | 0.0719 | -7.187 | 8.22 |
| — | — | 0.00 | 0.0760 | -1.562 | — |
| P2/c (No. 13) | monoclinic | 0.00 | 0.0770 | -7.182 | 6.67 |
| — | — | 0.00 | 0.0777 | -1.560 | — |
| — | — | 0.00 | 0.0855 | -1.552 | — |
| — | — | 0.00 | 0.0859 | -1.552 | — |
| — | — | 0.00 | 0.0864 | -1.551 | — |
Applications
Where MnPbO3 is used.
Frequently Asked Questions
Common questions about MnPbO3, answered from cross-validated data.
What is MnPbO3?
MnPbO3 is a metastable semiconducting oxide utilized in the study of oxygen-evolution catalysis.
What is MnPbO3 used for?
What is the band gap of MnPbO3?
Is MnPbO3 a metal, semiconductor, or insulator?
Is MnPbO3 thermodynamically stable?
What is the crystal structure of MnPbO3?
What is the density of MnPbO3?
How many polymorphs of MnPbO3 are known?
What elements does MnPbO3 contain?
Where does the data for MnPbO3 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse group of oxygen-evolution catalysts, MnPbO3 occupies a distinct niche compared to more conventional materials like LiCoO2 or LaMnO3. While many of its class members, such as LiCoO2, are widely utilized for their robust stability in battery and catalytic environments, MnPbO3 is distinguished by its metastable state, which offers unique opportunities for structural manipulation that are not available in more thermodynamically stable counterparts like NiO.
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)
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