Li2VNiO4
Li2VNiO4 is a semiconducting, metastable layered oxide containing lithium, vanadium, and nickel, primarily researched for its potential in next-generation battery electrodes.
About Li2VNiO4
Li2VNiO4 belongs to the class of layered lithium transition-metal oxides, characterized by its semiconducting electronic nature. As a metastable compound, it represents a complex arrangement of lithium, vanadium, nickel, and oxygen atoms that offers unique pathways for ion mobility within the crystal lattice.
This material is primarily investigated for its role in energy storage technologies. Its specific composition allows researchers to study how mixed-metal cation ordering influences the electrochemical performance and structural integrity of electrode materials in high-capacity battery systems.
Key Properties
Cross-validated computational properties for Li2VNiO4, 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 Li2VNiO4, 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. |
|---|---|---|---|---|---|
| Imma (No. 74) | orthorhombic | 1.87 | 0.0418 | -6.954 | 4.26 |
| P2/m (No. 10) | monoclinic | 1.74 | 0.0420 | -6.954 | 4.26 |
| P-1 (No. 2) | triclinic | 1.51 | 0.0452 | -6.951 | 4.29 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0497 | -6.946 | 4.26 |
| C2/m (No. 12) | monoclinic | 1.58 | 0.0533 | -6.943 | 4.24 |
| C2/m (No. 12) | — | — | — | — | — |
| Imma (No. 74) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P1 (No. 1) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 4.57 |
| P2/m (No. 10) | Monoclinic | — | — | — | 4.42 |
| P2/m (No. 10) | Monoclinic | — | — | — | 4.56 |
Applications
Where Li2VNiO4 is used.
Frequently Asked Questions
Common questions about Li2VNiO4, answered from cross-validated data.
What is Li2VNiO4?
Li2VNiO4 is a semiconducting, metastable layered oxide containing lithium, vanadium, and nickel, primarily researched for its potential in next-generation battery electrodes.
What is Li2VNiO4 used for?
What is the band gap of Li2VNiO4?
Is Li2VNiO4 a metal, semiconductor, or insulator?
Is Li2VNiO4 thermodynamically stable?
What is the crystal structure of Li2VNiO4?
What is the density of Li2VNiO4?
How many polymorphs of Li2VNiO4 are known?
What elements does Li2VNiO4 contain?
Where does the data for Li2VNiO4 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of layered lithium transition-metal oxides, Li2VNiO4 occupies a distinct niche compared to more conventional, highly stable cathode materials like LiCoO2 or LiNiO2. While siblings such as LiMnO2 and Li3Mn4O8 are frequently studied for their specific phase transitions, Li2VNiO4 is notable for its metastable state, which distinguishes it from the more thermodynamically robust members of the group.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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