Li2Ni3BiO8
Li2Ni3BiO8 is a complex, semiconducting layered lithium transition-metal oxide that is potentially synthesizable for advanced material research.
About Li2Ni3BiO8
Li2Ni3BiO8 belongs to the class of layered lithium transition-metal oxides, characterized by its semiconducting electronic nature. Its structural configuration and chemical composition make it a subject of interest for researchers investigating complex oxide frameworks for electrochemical applications. Being situated near the thermodynamic hull, it is considered a promising candidate for experimental synthesis and further material characterization.
This compound plays a role in the broader exploration of lithium-based materials, where the interplay between transition metals and bismuth influences its structural stability. Its existence across multiple reported structures highlights its significance in the ongoing effort to discover new electrode materials that can offer stable performance in various energy-related environments.
Key Properties
Cross-validated computational properties for Li2Ni3BiO8, 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 Li2Ni3BiO8, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 0.79 | 0.0041 | -5.979 | 5.63 |
| P4332 (No. 212) | cubic | 0.33 | 0.0116 | -5.971 | 5.82 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0218 | -5.961 | 5.68 |
| R-3m (No. 166) | — | — | — | — | — |
| R-3 (No. 148) | Trigonal | — | — | — | 5.63 |
| R-3 (No. 148) | Trigonal | — | — | — | 6.04 |
| R-3m (No. 166) | Trigonal | — | — | — | 5.87 |
| R-3 (No. 148) | Trigonal | — | — | — | 5.85 |
| R-3 (No. 148) | — | — | — | — | — |
| R-3m (No. 166) | Trigonal | — | — | — | 5.68 |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | Trigonal | — | — | — | 6.03 |
Applications
Where Li2Ni3BiO8 is used.
Frequently Asked Questions
Common questions about Li2Ni3BiO8, answered from cross-validated data.
What is Li2Ni3BiO8?
Li2Ni3BiO8 is a complex, semiconducting layered lithium transition-metal oxide that is potentially synthesizable for advanced material research.
What is Li2Ni3BiO8 used for?
What is the band gap of Li2Ni3BiO8?
Is Li2Ni3BiO8 a metal, semiconductor, or insulator?
Is Li2Ni3BiO8 thermodynamically stable?
What is the crystal structure of Li2Ni3BiO8?
What is the density of Li2Ni3BiO8?
How many polymorphs of Li2Ni3BiO8 are known?
What elements does Li2Ni3BiO8 contain?
Where does the data for Li2Ni3BiO8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Unlike the widely utilized LiCoO2 or LiNiO2, which are foundational materials for commercial battery cathodes, Li2Ni3BiO8 represents a more complex, multi-metal oxide system. While its siblings like LiMn2O4 and Li2MnO3 are extensively documented for their specific electrochemical behaviors, Li2Ni3BiO8 offers a distinct structural variation by incorporating bismuth, which differentiates its electronic and physical properties from the simpler transition-metal-only oxides in this class.
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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