LaNbO4
Lanthanum niobate
Lanthanum niobate is a stable, insulating perovskite oxide used primarily in the development of advanced functional ceramics.
About Lanthanum niobate
Lanthanum niobate is a thermodynamically stable oxide that crystallizes within the broader family of perovskite-related structures. As a wide-gap insulator, it exhibits robust electronic properties that make it a subject of significant interest for researchers investigating dielectric and structural stability in complex oxides.
This compound is valued for its structural versatility, evidenced by the multiple reported phases identified across various databases. Its inherent stability and insulating nature allow it to serve as a foundational material for developing specialized functional ceramics and electronic components.
Key Properties
Cross-validated computational properties for Lanthanum niobate, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of LaNbO4. 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 LaNbO4, 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 | 3.80 | 0.0000 | -9.363 | 5.84 |
| I41/a (No. 88) | tetragonal | 3.93 | 0.0003 | -9.363 | 5.76 |
| No. 0 | unknown | — | — | — | 4.05 |
| C2/c (No. 15) | — | — | — | — | — |
| I41/a (No. 88) | Tetragonal | — | — | — | 5.71 |
| I41/a (No. 88) | Tetragonal | — | — | — | 5.84 |
| I41/a (No. 88) | Tetragonal | — | — | — | 5.64 |
| I41/a (No. 88) | — | — | — | — | — |
| I41/a (No. 88) | — | — | — | — | — |
| I41/a (No. 88) | — | — | — | — | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting LaNbO4.
Applications
Where Lanthanum niobate is used.
Frequently Asked Questions
Common questions about Lanthanum niobate, answered from cross-validated data.
What is LaNbO4?
Lanthanum niobate is a stable, insulating perovskite oxide used primarily in the development of advanced functional ceramics.
What is LaNbO4 used for?
What is the band gap of LaNbO4?
Is LaNbO4 a metal, semiconductor, or insulator?
Is LaNbO4 thermodynamically stable?
What is the crystal structure of LaNbO4?
What is the density of LaNbO4?
How many polymorphs of LaNbO4 are known?
How is LaNbO4 synthesized?
What elements does LaNbO4 contain?
Where does the data for LaNbO4 come from?
How It Compares
Within the perovskite oxides class.
Unlike the highly conductive or magnetic transition-metal-based siblings such as LaNiO3 and LaMnO3, LaNbO4 is characterized by its wide-gap insulating behavior. While materials like BaTiO3 are widely utilized for their ferroelectric properties, LaNbO4 serves as a stable, non-magnetic structural variant within the perovskite oxide class, offering a distinct electronic profile compared to the more active catalytic or magnetic members like LaFeO3 and LaCoO3.
Related Compounds
Other Perovskite Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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