Li3NbNi3O8
Li3NbNi3O8 is a metastable, semiconducting layered lithium transition-metal oxide used in advanced materials research for energy storage.
About Li3NbNi3O8
Li3NbNi3O8 belongs to the class of layered lithium transition-metal oxides, characterized by its semiconducting electronic structure. This compound represents a complex arrangement of lithium, niobium, nickel, and oxygen ions, offering a unique structural framework for ion transport studies.
As a metastable phase, it is of significant interest to materials scientists investigating alternative electrode architectures. Its specific composition allows researchers to probe the stability and electrochemical behavior of multi-metal oxide systems in energy storage applications.
Key Properties
Cross-validated computational properties for Li3NbNi3O8, 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 Li3NbNi3O8, 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/m (No. 12) | monoclinic | 0.31 | 0.0700 | -6.718 | 4.66 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.66 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.78 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.88 |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Li3NbNi3O8 is used.
Frequently Asked Questions
Common questions about Li3NbNi3O8, answered from cross-validated data.
What is Li3NbNi3O8?
Li3NbNi3O8 is a metastable, semiconducting layered lithium transition-metal oxide used in advanced materials research for energy storage.
What is Li3NbNi3O8 used for?
What is the band gap of Li3NbNi3O8?
Is Li3NbNi3O8 a metal, semiconductor, or insulator?
Is Li3NbNi3O8 thermodynamically stable?
What is the crystal structure of Li3NbNi3O8?
What is the density of Li3NbNi3O8?
How many polymorphs of Li3NbNi3O8 are known?
What elements does Li3NbNi3O8 contain?
Where does the data for Li3NbNi3O8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of layered lithium transition-metal oxides, Li3NbNi3O8 occupies a distinct niche compared to more conventional, highly stable cathode materials like LiCoO2 or LiNiO2. While those siblings are widely utilized for their robust performance, Li3NbNi3O8 is studied for its unique metastable nature, which provides a different structural perspective on how transition metals influence the electrochemical properties of lithium-based oxides.
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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