LiV2NiO6
LiV2NiO6 is a semiconducting, metastable layered oxide containing lithium, vanadium, nickel, and oxygen, primarily investigated for its electrochemical properties.
About LiV2NiO6
LiV2NiO6 belongs to the class of layered lithium transition-metal oxides, characterized by its semiconducting electronic structure. As a metastable phase, it represents a complex arrangement of lithium, vanadium, nickel, and oxygen atoms that offers unique pathways for ion mobility within its crystalline framework. Its specific structural configuration makes it a subject of interest for researchers investigating high-performance energy storage materials. The material is primarily studied for its potential to facilitate reversible ion insertion, leveraging the redox activity of its transition metal components. By exploring its metastable nature, scientists aim to unlock new electrochemical behaviors that are distinct from more conventional, highly stable oxide counterparts.
Key Properties
Cross-validated computational properties for LiV2NiO6, 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 LiV2NiO6, 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 | 1.53 | 0.0590 | -7.731 | 3.63 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.1109 | -7.679 | 3.52 |
| P-1 (No. 2) | triclinic | 0.15 | 0.1982 | -7.591 | 3.61 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.61 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.95 |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.52 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.66 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.75 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.88 |
Applications
Where LiV2NiO6 is used.
Frequently Asked Questions
Common questions about LiV2NiO6, answered from cross-validated data.
What is LiV2NiO6?
LiV2NiO6 is a semiconducting, metastable layered oxide containing lithium, vanadium, nickel, and oxygen, primarily investigated for its electrochemical properties.
What is LiV2NiO6 used for?
What is the band gap of LiV2NiO6?
Is LiV2NiO6 a metal, semiconductor, or insulator?
Is LiV2NiO6 thermodynamically stable?
What is the crystal structure of LiV2NiO6?
What is the density of LiV2NiO6?
How many polymorphs of LiV2NiO6 are known?
What elements does LiV2NiO6 contain?
Where does the data for LiV2NiO6 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the broader family of layered lithium transition-metal oxides, LiV2NiO6 occupies a distinct position compared to well-established commercial standards like LiCoO2 or LiNiO2. While those materials are typically prized for their thermodynamic stability and high capacity in standard battery architectures, LiV2NiO6 is noted for its metastability, which suggests a more specialized, non-equilibrium role in electrochemical systems compared to the more common manganese-based oxides such as LiMn2O4.
Related Compounds
Other Layered Lithium Transition-Metal Oxides in the database.
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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