Li2NbCo3O8
Li2NbCo3O8 is a semiconducting, layered lithium transition-metal oxide that is theoretically stable and of interest for electrochemical energy storage research.
About Li2NbCo3O8
Li2NbCo3O8 is a complex layered lithium transition-metal oxide characterized by its semiconducting electronic structure. Its composition, involving both niobium and cobalt, positions it as an intriguing candidate for advanced electrochemical applications where structural stability is paramount. The material is considered near-hull, suggesting it is a viable target for experimental synthesis and further characterization in solid-state chemistry. It represents a sophisticated iteration of the layered oxide framework, where the inclusion of niobium serves to modulate the electronic and structural properties of the cobalt-based lattice. This makes it a subject of interest for researchers seeking to optimize ion transport and redox stability in next-generation battery architectures.
Key Properties
Cross-validated computational properties for Li2NbCo3O8, 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 Li2NbCo3O8, 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 | 0.67 | 0.0219 | -7.312 | 5.02 |
| P4332 (No. 212) | cubic | 0.76 | 0.0263 | -7.308 | 4.90 |
| R-3m (No. 166) | trigonal | 0.05 | 0.0999 | -7.234 | 4.40 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.40 |
| R-3m (No. 166) | Trigonal | — | — | — | 5.35 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.89 |
| P63mc (No. 186) | Hexagonal | — | — | — | 5.02 |
| P63mc (No. 186) | Hexagonal | — | — | — | 5.16 |
| P63mc (No. 186) | — | — | — | — | — |
| P63mc (No. 186) | Hexagonal | — | — | — | 5.30 |
| R-3m (No. 166) | — | — | — | — | — |
Applications
Where Li2NbCo3O8 is used.
Frequently Asked Questions
Common questions about Li2NbCo3O8, answered from cross-validated data.
What is Li2NbCo3O8?
Li2NbCo3O8 is a semiconducting, layered lithium transition-metal oxide that is theoretically stable and of interest for electrochemical energy storage research.
What is Li2NbCo3O8 used for?
What is the band gap of Li2NbCo3O8?
Is Li2NbCo3O8 a metal, semiconductor, or insulator?
Is Li2NbCo3O8 thermodynamically stable?
What is the crystal structure of Li2NbCo3O8?
What is the density of Li2NbCo3O8?
How many polymorphs of Li2NbCo3O8 are known?
What elements does Li2NbCo3O8 contain?
Where does the data for Li2NbCo3O8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the broad class of layered lithium transition-metal oxides, Li2NbCo3O8 distinguishes itself from more conventional members like LiCoO2 by incorporating niobium into the transition metal sublattice. While LiCoO2 remains the industry standard for cathode materials, the addition of niobium in Li2NbCo3O8 offers a different approach to balancing thermodynamic stability and electronic performance, moving beyond the simpler binary transition-metal systems like LiMnO2 or LiNiO2.
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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