LaV3O9
LaV3O9 is a metastable, semiconducting lanthanum vanadium oxide used primarily in fundamental materials science research.
About LaV3O9
LaV3O9 is a complex oxide composed of lanthanum, vanadium, and oxygen. As a semiconducting material, it exhibits electronic behavior that distinguishes it from simple binary oxides, making it a subject of interest for researchers investigating transition metal oxide systems. The compound is characterized as metastable, indicating that its synthesis and preservation require specific conditions to maintain its structural integrity. Its existence across multiple reported structures highlights the structural diversity inherent in lanthanum-based vanadates.
Key Properties
Cross-validated computational properties for LaV3O9, 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 LaV3O9. 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 LaV3O9, 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. |
|---|---|---|---|---|---|
| P21/m (No. 11) | monoclinic | 2.37 | 0.0062 | -2.788 | — |
| — | — | 2.81 | 0.0222 | -2.650 | — |
| P21/m (No. 11) | monoclinic | 2.57 | 0.0253 | -8.597 | 4.00 |
| P21/m (No. 11) | monoclinic | — | — | — | 4.00 |
| P21/m (No. 11) | monoclinic | — | — | — | 4.09 |
| P21/m (No. 11) | monoclinic | — | — | — | 4.36 |
Applications
Where LaV3O9 is used.
Frequently Asked Questions
Common questions about LaV3O9, answered from cross-validated data.
What is LaV3O9?
LaV3O9 is a metastable, semiconducting lanthanum vanadium oxide used primarily in fundamental materials science research.
What is LaV3O9 used for?
What is the band gap of LaV3O9?
Is LaV3O9 a metal, semiconductor, or insulator?
Is LaV3O9 thermodynamically stable?
What is the crystal structure of LaV3O9?
How many polymorphs of LaV3O9 are known?
What elements does LaV3O9 contain?
Where does the data for LaV3O9 come from?
How It Compares
As a member of the lanthanum vanadate family, LaV3O9 represents a specialized phase within the broader landscape of ternary oxides. While it does not share the same widespread industrial ubiquity as simpler vanadates, its unique stoichiometry and semiconducting nature provide a distinct niche for exploring electronic and structural transitions in metastable oxide materials.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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