LaMnO3
Lanthanum manganite · LMO
Lanthanum manganite is a semiconducting perovskite oxide primarily researched for its catalytic activity in oxygen-evolution reactions.
About Lanthanum manganite
Lanthanum manganite is a complex oxide featuring a perovskite-type structure that has been extensively characterized across numerous crystallographic studies. As a semiconducting material, it is frequently investigated for its catalytic potential in electrochemical processes, particularly regarding oxygen-evolution reactions.
Despite its status as a widely studied compound, it typically resides above the thermodynamic hull, suggesting inherent instability under certain conditions. This metastability is a key factor in its reactivity and performance, making it a subject of significant interest for researchers aiming to tune oxide catalysts for energy conversion applications.
Key Properties
Cross-validated computational properties for Lanthanum manganite, 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 LaMnO3. 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 LaMnO3, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0000 | -2.889 | — |
| C2/c (No. 15) | monoclinic | 0.00 | 0.0238 | -2.865 | — |
| R-3c (No. 167) | trigonal | 0.00 | 0.0239 | -2.865 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0343 | -2.855 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0345 | -2.855 | — |
| — | — | 0.00 | 0.0374 | -2.932 | — |
| — | — | 0.00 | 0.0399 | -2.930 | — |
| — | — | 0.00 | 0.0471 | -2.922 | — |
| — | — | 0.00 | 0.0472 | -2.922 | — |
| — | — | 0.00 | 0.0480 | -2.921 | — |
| — | — | 0.00 | 0.0487 | -2.921 | — |
| — | — | 0.00 | 0.0488 | -2.921 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting LaMnO3.
Applications
Where Lanthanum manganite is used.
Patent Landscape
2 patents reference LaMnO3 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 5549850 | LaMnO.sub.3 -coated ceramics | — | — |
| 6333000 | Process for making LaMnO3-coated ceramics | — | — |
Frequently Asked Questions
Common questions about Lanthanum manganite, answered from cross-validated data.
What is LaMnO3?
Lanthanum manganite is a semiconducting perovskite oxide primarily researched for its catalytic activity in oxygen-evolution reactions.
What is LaMnO3 used for?
What is the band gap of LaMnO3?
Is LaMnO3 a metal, semiconductor, or insulator?
Is LaMnO3 thermodynamically stable?
What is the crystal structure of LaMnO3?
How many polymorphs of LaMnO3 are known?
How is LaMnO3 synthesized?
What elements does LaMnO3 contain?
Where does the data for LaMnO3 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse family of oxygen-evolution catalysts, LaMnO3 serves as a foundational perovskite framework that contrasts with the layered oxides like LiCoO2 or LiNiO2. While siblings such as LaNiO3 or LaFeO3 share similar structural motifs, LaMnO3 is distinguished by its specific electronic configuration and the unique catalytic challenges posed by its position relative to the thermodynamic stability limit.
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)
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
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