LaO3
LaO3 is a semiconducting lanthanum oxide compound that exists in a metastable state with multiple reported structural variations.
About LaO3
LaO3 is a semiconducting oxide compound composed of lanthanum and oxygen. It represents an intriguing stoichiometry within the lanthanum-oxygen system, characterized by its electronic behavior and structural complexity as evidenced by multiple reported configurations across various databases. While it exists as a distinct chemical entity, its thermodynamic profile suggests it is not the most stable configuration in the system, often appearing above the convex hull. This instability makes it a subject of interest for researchers studying phase transitions and high-pressure synthesis routes in oxide materials. Its semiconducting nature provides a foundation for exploring how lanthanum-based oxides can be tuned for specialized electronic or catalytic applications where non-standard oxygen ratios are required.
Key Properties
Cross-validated computational properties for LaO3, aggregated across 4 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.
Reported Structures
Lowest-energy structures reported for LaO3, 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. |
|---|---|---|---|---|---|
| P63/m (No. 176) | hexagonal | 0.61 | 0.3922 | -6.975 | 5.37 |
| P-1 (No. 2) | triclinic | 0.00 | 0.4838 | -6.884 | 4.30 |
| P-1 (No. 2) | triclinic | 0.00 | 0.7180 | -6.649 | 4.30 |
| P-1 (No. 2) | triclinic | 0.00 | 1.0004 | -6.367 | 4.30 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pm (No. 6) | Monoclinic | — | — | — | 1.74 |
| Pm (No. 6) | Monoclinic | — | — | — | 1.80 |
| Pm (No. 6) | Monoclinic | — | — | — | 2.04 |
| P1 (No. 1) | — | — | — | — | — |
| C2 (No. 5) | Monoclinic | — | — | — | 4.15 |
| P63/m (No. 176) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 5.13 |
Applications
Where LaO3 is used.
Frequently Asked Questions
Common questions about LaO3, answered from cross-validated data.
What is LaO3?
LaO3 is a semiconducting lanthanum oxide compound that exists in a metastable state with multiple reported structural variations.
What is LaO3 used for?
What is the band gap of LaO3?
Is LaO3 a metal, semiconductor, or insulator?
Is LaO3 thermodynamically stable?
What is the crystal structure of LaO3?
What is the density of LaO3?
How many polymorphs of LaO3 are known?
What elements does LaO3 contain?
Where does the data for LaO3 come from?
How It Compares
As a unique oxide composition, LaO3 occupies an unconventional space within the broader family of lanthanum oxides, which are typically dominated by more stable, stoichiometric phases. Unlike the common sesquioxide forms that serve as standard dielectric or catalytic materials, this compound represents a metastable phase that challenges traditional bonding expectations, offering a distinct electronic profile that differentiates it from the more thermodynamically favored members of the lanthanum-oxygen chemical landscape.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
Analyze LaO3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →