Li4Co3Ni5O16
This material is a complex lithium-based transition metal oxide often investigated for its potential role in electrochemical energy storage systems. It is primarily studied as a cathode active material due to its ability to facilitate the reversible movement of lithium ions.
Overview
Key Properties
Cross-validated computational properties for Li4Co3Ni5O16, 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.
0.67 eV
Range across DFT structures
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.
0.034 eV/atom
Best (lowest) across sources
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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Li4Co3Ni5O16, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 0.67 | 0.0337 | -6.194 | 4.83 |
| Cm (No. 8) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 5.05 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.83 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.99 |
Uses
Applications
Where Li4Co3Ni5O16 is used.
Lithium-ion battery researchCathode material developmentEnergy storage technology
Reference
Frequently Asked Questions
Common questions about Li4Co3Ni5O16, answered from cross-validated data.
What is Li4Co3Ni5O16?
This material is a complex lithium-based transition metal oxide often investigated for its potential role in electrochemical energy storage systems. It is primarily studied as a cathode active material due to its ability to facilitate the reversible movement of lithium ions.
What is Li4Co3Ni5O16 used for?
Li4Co3Ni5O16 is used in lithium-ion battery research, cathode material development, and energy storage technology.
What is the band gap of Li4Co3Ni5O16?
Li4Co3Ni5O16 has a DFT-computed band gap of 0.67 eV across 5 reported structures.
Is Li4Co3Ni5O16 a metal, semiconductor, or insulator?
With a band gap up to 0.67 eV it is a semiconductor.
Is Li4Co3Ni5O16 thermodynamically stable?
Li4Co3Ni5O16 has a lowest energy above hull of 0.034 eV/atom (metastable).
What is the crystal structure of Li4Co3Ni5O16?
The lowest-energy reported polymorph of Li4Co3Ni5O16 is monoclinic symmetry, space group Cm (No. 8).
What is the density of Li4Co3Ni5O16?
The computed density of the ground-state structure of Li4Co3Ni5O16 is 4.83 g/cm³.
How many polymorphs of Li4Co3Ni5O16 are known?
5 structures of Li4Co3Ni5O16 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li4Co3Ni5O16 contain?
Li4Co3Ni5O16 contains Co, Li, Ni, and O (4 elements).
Where does the data for Li4Co3Ni5O16 come from?
Li4Co3Ni5O16 data is cross-referenced from materials_project, jarvis, mpaloe.
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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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