Li4Ni3BiO8
Li4Ni3BiO8 is a semiconducting layered lithium transition-metal oxide that is considered a promising candidate for energy storage applications due to its favorable thermodynamic stability.
About Li4Ni3BiO8
Li4Ni3BiO8 is a complex layered lithium transition-metal oxide that features a semiconducting electronic structure. Its composition, incorporating bismuth alongside nickel and lithium, positions it as a distinct member of the layered oxide family, characterized by a thermodynamic profile that suggests it is a viable target for experimental synthesis.
As a material of interest for electrochemical applications, this compound leverages its layered framework to potentially facilitate ion transport. Its structural properties and near-hull stability make it a subject of ongoing investigation for next-generation battery electrode technologies where transition-metal coordination is critical.
Key Properties
Cross-validated computational properties for Li4Ni3BiO8, 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 Li4Ni3BiO8, 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/c (No. 15) | monoclinic | 0.33 | 0.0073 | -5.893 | 5.68 |
| P2/c (No. 13) | monoclinic | 0.45 | 0.0087 | -5.892 | 5.70 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0100 | -5.891 | 5.72 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0107 | -5.890 | 5.69 |
| R-3m (No. 166) | Trigonal | — | — | — | 5.72 |
| P2/c (No. 13) | Monoclinic | — | — | — | 6.05 |
| P2/c (No. 13) | Monoclinic | — | — | — | 5.70 |
| P2/c (No. 13) | Monoclinic | — | — | — | 5.92 |
| R-3m (No. 166) | Trigonal | — | — | — | 5.93 |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | Trigonal | — | — | — | 6.07 |
| R-3m (No. 166) | — | — | — | — | — |
Applications
Where Li4Ni3BiO8 is used.
Frequently Asked Questions
Common questions about Li4Ni3BiO8, answered from cross-validated data.
What is Li4Ni3BiO8?
Li4Ni3BiO8 is a semiconducting layered lithium transition-metal oxide that is considered a promising candidate for energy storage applications due to its favorable thermodynamic stability.
What is Li4Ni3BiO8 used for?
What is the band gap of Li4Ni3BiO8?
Is Li4Ni3BiO8 a metal, semiconductor, or insulator?
Is Li4Ni3BiO8 thermodynamically stable?
What is the crystal structure of Li4Ni3BiO8?
What is the density of Li4Ni3BiO8?
How many polymorphs of Li4Ni3BiO8 are known?
What elements does Li4Ni3BiO8 contain?
Where does the data for Li4Ni3BiO8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the broad class of layered lithium transition-metal oxides, Li4Ni3BiO8 occupies a unique niche compared to more conventional benchmarks like LiCoO2 or LiNiO2. While those materials are widely utilized as standard cathode components, the inclusion of bismuth in the Li4Ni3BiO8 lattice offers a different structural and electronic landscape, distinguishing it from the simpler binary-metal oxides like LiAlO2 or the manganese-based variants such as Li2MnO3.
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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