LiNbVO4
LiNbVO4 is a metastable, semiconducting quaternary oxide containing lithium, niobium, vanadium, and oxygen.
About LiNbVO4
LiNbVO4 is a complex quaternary oxide composed of lithium, niobium, vanadium, and oxygen. As a semiconducting material, it represents an interesting subject for investigation in solid-state chemistry due to its electronic properties and the interplay between its constituent transition metals.
Because it exists in a metastable state, this compound is of significant interest to researchers studying phase stability and synthesis pathways. Its structural diversity, evidenced by multiple reported configurations, suggests a complex energy landscape that may be tuned for specific functional applications.
Key Properties
Cross-validated computational properties for LiNbVO4, 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.
Reported Structures
Lowest-energy structures reported for LiNbVO4, 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. |
|---|---|---|---|---|---|
| P4322 (No. 95) | tetragonal | 1.34 | 0.0373 | -8.512 | 4.28 |
| P-1 (No. 2) | triclinic | 0.06 | 0.0512 | -8.498 | 4.32 |
| Imma (No. 74) | orthorhombic | 0.00 | 0.0537 | -8.495 | 4.37 |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.37 |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.62 |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.49 |
| P4322 (No. 95) | Tetragonal | — | — | — | 4.28 |
| P4322 (No. 95) | Tetragonal | — | — | — | 4.53 |
| P4322 (No. 95) | Tetragonal | — | — | — | 4.47 |
| Imma (No. 74) | — | — | — | — | — |
Applications
Where LiNbVO4 is used.
Frequently Asked Questions
Common questions about LiNbVO4, answered from cross-validated data.
What is LiNbVO4?
LiNbVO4 is a metastable, semiconducting quaternary oxide containing lithium, niobium, vanadium, and oxygen.
What is LiNbVO4 used for?
What is the band gap of LiNbVO4?
Is LiNbVO4 a metal, semiconductor, or insulator?
Is LiNbVO4 thermodynamically stable?
What is the crystal structure of LiNbVO4?
What is the density of LiNbVO4?
How many polymorphs of LiNbVO4 are known?
What elements does LiNbVO4 contain?
Where does the data for LiNbVO4 come from?
How It Compares
As a unique quaternary oxide, LiNbVO4 functions as an exploratory material within the broader landscape of lithium-based transition metal oxides. Without direct structural siblings in this specific grouping, it stands as an independent case study for how the combination of niobium and vanadium influences the semiconducting behavior and thermodynamic stability of the lattice.
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).
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