LaCoO3
Lanthanum cobaltite · LCO
Lanthanum cobaltite is a ceramic perovskite oxide known for its interesting electronic and magnetic properties. It is widely studied for its potential in energy conversion and sensing technologies due to its ability to facilitate oxygen exchange at its surface.
Overview
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.
0.44–1.10 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
27
3 databases, 9 space groups
Crystallography
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 | 0.95 | 0.0000 | -7.983 | 6.91 |
| R-3c (No. 167) | trigonal | 1.00 | 0.0033 | -7.979 | 7.35 |
| P-1 (No. 2) | triclinic | 0.00 | 0.0114 | -7.971 | 7.21 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0179 | -7.965 | 6.71 |
| P1 (No. 1) | triclinic | 0.67 | 0.0304 | -7.952 | 6.86 |
| P-1 (No. 2) | triclinic | 0.00 | 0.0349 | -7.948 | 6.82 |
| C2/c (No. 15) | monoclinic | 1.10 | 0.0388 | -7.944 | 7.19 |
| Pnma (No. 62) | orthorhombic | 0.97 | 0.0475 | -7.935 | 6.89 |
| Imma (No. 74) | orthorhombic | 0.94 | 0.0551 | -7.927 | 6.84 |
| Pm-3m (No. 221) | cubic | 0.44 | 0.0765 | -7.906 | 7.34 |
| Pm-3m (No. 221) | cubic | 0.00 | 1.4303 | -6.552 | 4.65 |
| C2/c (No. 15) | monoclinic | 0.00 | 2.9150 | -5.068 | 1.20 |
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting LaCoO3.
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Uses
Applications
Where Lanthanum cobaltite is used.
Solid oxide fuel cell cathodesGas sensorsCatalytic oxidation processesThermoelectric devices
Reference
Frequently Asked Questions
Common questions about Lanthanum cobaltite, answered from cross-validated data.
What is LaCoO3?
Lanthanum cobaltite is a ceramic perovskite oxide known for its interesting electronic and magnetic properties. It is widely studied for its potential in energy conversion and sensing technologies due to its ability to facilitate oxygen exchange at its surface.
What is LaCoO3 used for?
Lanthanum cobaltite (LaCoO3) is used in solid oxide fuel cell cathodes, gas sensors, catalytic oxidation processes, and thermoelectric devices.
What is the band gap of LaCoO3?
Lanthanum cobaltite (LaCoO3) has a DFT-computed band gap of 0.44–1.10 eV across 27 reported structures.
Is LaCoO3 a metal, semiconductor, or insulator?
With a band gap up to 1.10 eV it is a semiconductor.
Is LaCoO3 thermodynamically stable?
Yes — Lanthanum cobaltite (LaCoO3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of LaCoO3?
The lowest-energy reported polymorph of Lanthanum cobaltite (LaCoO3) is trigonal symmetry, space group R-3 (No. 148).
What is the density of LaCoO3?
The computed density of the ground-state structure of Lanthanum cobaltite (LaCoO3) is 6.91 g/cm³.
How many polymorphs of LaCoO3 are known?
27 structures of LaCoO3 are reported across 3 databases, spanning 9 distinct space groups.
How is LaCoO3 synthesized?
Literature-reported routes for LaCoO3 include sol-gel (10 procedures documented).
What elements does LaCoO3 contain?
Lanthanum cobaltite (LaCoO3) contains Co, La, and O (3 elements).
Where does the data for LaCoO3 come from?
LaCoO3 data is cross-referenced from materials_project, mpaloe, jarvis.
Explore
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
Analyze LaCoO3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →