Li4Fe3Ni2Sb3O16
Li4Fe3Ni2Sb3O16 is a metastable, semiconducting layered oxide containing lithium, iron, nickel, and antimony, primarily investigated for its potential in advanced energy storage applications.
About Li4Fe3Ni2Sb3O16
Li4Fe3Ni2Sb3O16 is a complex layered lithium transition-metal oxide characterized by its semiconducting electronic nature. As a metastable phase, it represents a specialized configuration within the broader family of lithium-based oxide materials, offering unique structural arrangements for ion transport and storage applications.
This material is primarily studied for its potential utility in electrochemical energy storage systems. Its intricate composition, involving iron, nickel, and antimony, positions it as a subject of interest for researchers seeking to tune the performance of cathode materials through compositional complexity.
Key Properties
Cross-validated computational properties for Li4Fe3Ni2Sb3O16, 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 Li4Fe3Ni2Sb3O16, 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 | 0.43 | 0.0745 | -6.695 | 4.88 |
| Cm (No. 8) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 5.33 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.88 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.13 |
Applications
Where Li4Fe3Ni2Sb3O16 is used.
Frequently Asked Questions
Common questions about Li4Fe3Ni2Sb3O16, answered from cross-validated data.
What is Li4Fe3Ni2Sb3O16?
Li4Fe3Ni2Sb3O16 is a metastable, semiconducting layered oxide containing lithium, iron, nickel, and antimony, primarily investigated for its potential in advanced energy storage applications.
What is Li4Fe3Ni2Sb3O16 used for?
What is the band gap of Li4Fe3Ni2Sb3O16?
Is Li4Fe3Ni2Sb3O16 a metal, semiconductor, or insulator?
Is Li4Fe3Ni2Sb3O16 thermodynamically stable?
What is the crystal structure of Li4Fe3Ni2Sb3O16?
What is the density of Li4Fe3Ni2Sb3O16?
How many polymorphs of Li4Fe3Ni2Sb3O16 are known?
What elements does Li4Fe3Ni2Sb3O16 contain?
Where does the data for Li4Fe3Ni2Sb3O16 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Unlike the widely utilized and thermodynamically stable LiCoO2 or LiNiO2, which serve as industry standards for battery cathodes, Li4Fe3Ni2Sb3O16 is a metastable compound that highlights the structural diversity possible within layered lithium transition-metal oxides. While siblings like LiMn2O4 are well-established for their robust cycling, this compound offers a more exotic, multi-element framework that challenges conventional design paradigms.
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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