LiNiCO4
LiNiCO4 is a metastable, semiconducting layered lithium transition-metal oxide investigated for its potential applications in advanced electrochemical energy storage.
About LiNiCO4
LiNiCO4 belongs to the class of layered lithium transition-metal oxides, a group of materials critical for modern battery technology. As a semiconducting compound, it exhibits electronic properties that are of significant interest for understanding charge transport and ion mobility within complex oxide lattices. Its metastable nature suggests unique synthesis pathways and potential for fine-tuning structural characteristics to optimize electrochemical performance. The material is primarily investigated for its potential utility in energy storage systems, where the interplay between lithium, nickel, and carbon-oxygen frameworks can influence battery efficiency and cycle life.
Key Properties
Cross-validated computational properties for LiNiCO4, 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 LiNiCO4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.57 | 0.0678 | -6.905 | 3.58 |
| P21/c (No. 14) | — | — | — | — | — |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.76 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.58 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.68 |
Applications
Where LiNiCO4 is used.
Frequently Asked Questions
Common questions about LiNiCO4, answered from cross-validated data.
What is LiNiCO4?
LiNiCO4 is a metastable, semiconducting layered lithium transition-metal oxide investigated for its potential applications in advanced electrochemical energy storage.
What is LiNiCO4 used for?
What is the band gap of LiNiCO4?
Is LiNiCO4 a metal, semiconductor, or insulator?
Is LiNiCO4 thermodynamically stable?
What is the crystal structure of LiNiCO4?
What is the density of LiNiCO4?
How many polymorphs of LiNiCO4 are known?
What elements does LiNiCO4 contain?
Where does the data for LiNiCO4 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of layered lithium transition-metal oxides, LiNiCO4 occupies a specialized niche compared to more conventional, highly stable cathode materials like LiCoO2 or LiMn2O4. While LiCoO2 serves as the industry standard for commercial lithium-ion batteries, LiNiCO4 represents a more complex, metastable structural variant that pushes the boundaries of traditional transition-metal oxide chemistry, offering a distinct alternative for researchers exploring non-traditional stoichiometry in 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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