Li4Fe3NiO8
Li4Fe3NiO8 is a semiconducting layered oxide containing lithium, iron, and nickel that is being investigated for its potential utility in advanced energy storage devices.
About Li4Fe3NiO8
Li4Fe3NiO8 is a complex layered lithium transition-metal oxide composed of lithium, iron, nickel, and oxygen. As a semiconducting material, it represents a specialized composition within the broader family of lithium-based cathode materials, offering a unique electronic structure for electrochemical applications. Its position near the thermodynamic hull suggests it is a viable candidate for experimental synthesis and structural characterization. This compound is of significant interest to researchers investigating novel electrode architectures that balance iron and nickel to optimize lithium-ion mobility and structural integrity. By exploring the interplay between these transition metals, scientists aim to develop more sustainable and cost-effective alternatives to traditional cobalt-based cathodes.
Key Properties
Cross-validated computational properties for Li4Fe3NiO8, 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 Li4Fe3NiO8, 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-3m (No. 166) | trigonal | 0.00 | 0.0083 | -6.726 | 4.27 |
| P1 (No. 1) | triclinic | 1.14 | 0.0780 | -6.656 | 3.45 |
| P-1 (No. 2) | triclinic | 0.00 | 0.2021 | -6.532 | 4.46 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.27 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.52 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.44 |
| P1 (No. 1) | Triclinic | — | — | — | 3.45 |
| P1 (No. 1) | Triclinic | — | — | — | 3.59 |
| C2/m (No. 12) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 3.67 |
Applications
Where Li4Fe3NiO8 is used.
Frequently Asked Questions
Common questions about Li4Fe3NiO8, answered from cross-validated data.
What is Li4Fe3NiO8?
Li4Fe3NiO8 is a semiconducting layered oxide containing lithium, iron, and nickel that is being investigated for its potential utility in advanced energy storage devices.
What is Li4Fe3NiO8 used for?
What is the band gap of Li4Fe3NiO8?
Is Li4Fe3NiO8 a metal, semiconductor, or insulator?
Is Li4Fe3NiO8 thermodynamically stable?
What is the crystal structure of Li4Fe3NiO8?
What is the density of Li4Fe3NiO8?
How many polymorphs of Li4Fe3NiO8 are known?
What elements does Li4Fe3NiO8 contain?
Where does the data for Li4Fe3NiO8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse class of layered lithium transition-metal oxides, Li4Fe3NiO8 serves as a distinct alternative to well-established commercial standards like LiCoO2 and LiNiO2. While LiNiO2 is widely recognized for its high capacity, the inclusion of iron in the Li4Fe3NiO8 lattice introduces different redox characteristics and structural stability profiles, positioning it as a compelling subject for comparative studies alongside other complex oxides like Li5Mn3O8 and Li3Mn4O8.
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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