LaCoO3
Lanthanum cobaltite · LCO
LaCoO3 is a stable, semiconducting perovskite oxide frequently employed as a catalyst for oxygen-evolution reactions in electrochemical applications.
About Lanthanum cobaltite
Lanthanum cobaltite is a thermodynamically stable perovskite-type oxide that functions as a semiconducting material. Its robust crystalline framework and electronic configuration make it a subject of significant interest for catalytic processes involving oxygen exchange and evolution.
Due to its structural versatility, this compound is widely utilized in research focused on electrochemical energy conversion. It serves as a foundational material for developing efficient electrodes that facilitate oxygen-evolution reactions in various sustainable energy technologies.
Key Properties
Cross-validated computational properties for Lanthanum cobaltite, 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 LaCoO3. 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 LaCoO3, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 0.28 | 0.0000 | -7.983 | 6.91 |
| — | — | 0.28 | 0.0000 | -2.508 | — |
| R-3c (No. 167) | trigonal | 0.00 | 0.0000 | -2.503 | — |
| R-3c (No. 167) | trigonal | 0.00 | 0.0004 | -2.503 | — |
| R-3c (No. 167) | trigonal | 0.00 | 0.0004 | -2.503 | — |
| R-3c (No. 167) | trigonal | 0.00 | 0.0015 | -2.502 | — |
| R-3c (No. 167) | trigonal | 1.00 | 0.0033 | -7.979 | 7.35 |
| — | — | 0.00 | 0.0069 | -2.501 | — |
| P-1 (No. 2) | triclinic | 0.00 | 0.0114 | -7.971 | 7.21 |
| — | — | 0.00 | 0.0159 | -2.492 | — |
| P21/c (No. 14) | monoclinic | 0.80 | 0.0179 | -7.965 | 6.71 |
| — | — | 0.00 | 0.0181 | -2.490 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting LaCoO3.
Applications
Where Lanthanum cobaltite is used.
Frequently Asked Questions
Common questions about Lanthanum cobaltite, answered from cross-validated data.
What is LaCoO3?
LaCoO3 is a stable, semiconducting perovskite oxide frequently employed as a catalyst for oxygen-evolution reactions in electrochemical applications.
What is LaCoO3 used for?
What is the band gap of LaCoO3?
Is LaCoO3 a metal, semiconductor, or insulator?
Is LaCoO3 thermodynamically stable?
What is the crystal structure of LaCoO3?
How many polymorphs of LaCoO3 are known?
How is LaCoO3 synthesized?
What elements does LaCoO3 contain?
Where does the data for LaCoO3 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the family of oxide oxygen-evolution catalysts, LaCoO3 occupies a distinct position compared to siblings like LaNiO3 and LaMnO3. While many members of this class are explored for their varied magnetic and electronic transitions, LaCoO3 is recognized for its stability on the convex hull, providing a reliable baseline for studying catalytic performance in perovskite architectures versus layered structures like LiCoO2.
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)
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
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