Li4CuNi3O8
Li4CuNi3O8 is a semimetallic layered lithium transition-metal oxide that is potentially synthesizable for use in advanced electrochemical devices.
About Li4CuNi3O8
Li4CuNi3O8 belongs to the class of layered lithium transition-metal oxides, a group essential for modern battery technology. This specific composition is characterized by its near-hull thermodynamic stability, suggesting it is a viable candidate for experimental synthesis and structural characterization.
Electrically, the compound exhibits a near-zero-gap semimetallic character, which distinguishes it from many of its insulating or semiconducting counterparts. This electronic profile makes it an intriguing subject for researchers investigating charge transport mechanisms in complex oxide systems.
Key Properties
Cross-validated computational properties for Li4CuNi3O8, 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 Li4CuNi3O8, 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 | 0.04 | 0.0178 | -5.759 | 4.62 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.79 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.62 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.91 |
Applications
Where Li4CuNi3O8 is used.
Frequently Asked Questions
Common questions about Li4CuNi3O8, answered from cross-validated data.
What is Li4CuNi3O8?
Li4CuNi3O8 is a semimetallic layered lithium transition-metal oxide that is potentially synthesizable for use in advanced electrochemical devices.
What is Li4CuNi3O8 used for?
What is the band gap of Li4CuNi3O8?
Is Li4CuNi3O8 a metal, semiconductor, or insulator?
Is Li4CuNi3O8 thermodynamically stable?
What is the crystal structure of Li4CuNi3O8?
What is the density of Li4CuNi3O8?
How many polymorphs of Li4CuNi3O8 are known?
What elements does Li4CuNi3O8 contain?
Where does the data for Li4CuNi3O8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Unlike the widely utilized LiCoO2 or LiNiO2 which typically function as insulating cathode materials, Li4CuNi3O8 presents a semimetallic electronic structure that sets it apart from the more conventional members of the layered oxide family. While materials like LiMn2O4 are well-established for their specific electrochemical performance, Li4CuNi3O8 remains a specialized, data-rich candidate that offers a unique electronic environment for potential energy storage applications.
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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