Li2Ni3WO8
Li2Ni3WO8 is a metastable, semiconducting layered lithium transition-metal oxide used in advanced materials research.
About Li2Ni3WO8
Li2Ni3WO8 is a complex layered lithium transition-metal oxide that exhibits semiconducting electronic behavior. As a metastable phase, it represents an intriguing subject for materials scientists investigating the structural flexibility of lithium-based oxide frameworks.
This compound is primarily studied for its potential utility in electrochemical energy storage systems. Its unique composition, incorporating tungsten alongside nickel and lithium, allows it to occupy a distinct niche within the broader family of layered oxides used in battery research.
Key Properties
Cross-validated computational properties for Li2Ni3WO8, 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 Li2Ni3WO8, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 0.00 | 0.0326 | -6.931 | 5.80 |
| P212121 (No. 19) | orthorhombic | 0.59 | 0.0544 | -6.909 | 5.54 |
| P43212 (No. 96) | tetragonal | 0.26 | 0.0561 | -6.908 | 5.57 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0575 | -6.906 | 5.54 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0590 | -6.905 | 5.54 |
| P63mc (No. 186) | Hexagonal | — | — | — | 5.80 |
| P63mc (No. 186) | Hexagonal | — | — | — | 6.38 |
| R-3m (No. 166) | Trigonal | — | — | — | 5.54 |
| R-3m (No. 166) | Trigonal | — | — | — | 6.11 |
| P63mc (No. 186) | Hexagonal | — | — | — | 6.05 |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | Trigonal | — | — | — | 5.77 |
Applications
Where Li2Ni3WO8 is used.
Frequently Asked Questions
Common questions about Li2Ni3WO8, answered from cross-validated data.
What is Li2Ni3WO8?
Li2Ni3WO8 is a metastable, semiconducting layered lithium transition-metal oxide used in advanced materials research.
What is Li2Ni3WO8 used for?
What is the band gap of Li2Ni3WO8?
Is Li2Ni3WO8 a metal, semiconductor, or insulator?
Is Li2Ni3WO8 thermodynamically stable?
What is the crystal structure of Li2Ni3WO8?
What is the density of Li2Ni3WO8?
How many polymorphs of Li2Ni3WO8 are known?
What elements does Li2Ni3WO8 contain?
Where does the data for Li2Ni3WO8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the expansive class of layered lithium transition-metal oxides, Li2Ni3WO8 stands out due to its specific elemental combination compared to more conventional cathode materials like LiNiO2 or LiCoO2. While many of its siblings are optimized for high-capacity cycling, this compound serves as a specialized example of how incorporating heavy transition metals can alter the structural stability and electronic landscape of the oxide lattice.
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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