NaLi3V4O12
NaLi3V4O12 is a stable, wide-gap insulating oxide containing sodium, lithium, and vanadium that is considered a promising candidate for synthesis.
About NaLi3V4O12
NaLi3V4O12 is a complex oxide featuring lithium, sodium, and vanadium. As a wide-gap insulating material, it exhibits electronic characteristics typical of stable dielectric or ionic-conducting frameworks.
Its position near the thermodynamic hull suggests it is a viable candidate for experimental synthesis. The compound is of interest to researchers investigating novel multi-cation oxide systems for potential energy storage or solid-state electrolyte roles.
Key Properties
Cross-validated computational properties for NaLi3V4O12, 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 NaLi3V4O12, 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 (No. 5) | monoclinic | 3.03 | 0.0224 | -7.531 | 2.83 |
| C2 (No. 5) | — | — | — | — | — |
| C2 (No. 5) | Monoclinic | — | — | — | 3.07 |
| C2 (No. 5) | Monoclinic | — | — | — | 2.83 |
| C2 (No. 5) | Monoclinic | — | — | — | 2.90 |
Applications
Where NaLi3V4O12 is used.
Frequently Asked Questions
Common questions about NaLi3V4O12, answered from cross-validated data.
What is NaLi3V4O12?
NaLi3V4O12 is a stable, wide-gap insulating oxide containing sodium, lithium, and vanadium that is considered a promising candidate for synthesis.
What is NaLi3V4O12 used for?
What is the band gap of NaLi3V4O12?
Is NaLi3V4O12 a metal, semiconductor, or insulator?
Is NaLi3V4O12 thermodynamically stable?
What is the crystal structure of NaLi3V4O12?
What is the density of NaLi3V4O12?
How many polymorphs of NaLi3V4O12 are known?
What elements does NaLi3V4O12 contain?
Where does the data for NaLi3V4O12 come from?
How It Compares
As a unique multi-cation vanadium oxide, NaLi3V4O12 occupies a specialized niche in materials science. Without direct structural siblings in this specific class, it serves as a distinct example of how balancing alkali metal ratios with transition metal oxides can yield stable, insulating crystalline architectures.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
Analyze NaLi3V4O12 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →