Li4Fe5Sb3O16
Li4Fe5Sb3O16 is a metastable semiconducting quaternary oxide composed of lithium, iron, antimony, and oxygen.
About Li4Fe5Sb3O16
Li4Fe5Sb3O16 is a complex multicomponent oxide characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique arrangement of lithium, iron, and antimony cations within an oxygen framework, offering researchers insights into the structural diversity of transition metal antimonates. Its existence across multiple crystallographic databases highlights its significance in fundamental solid-state chemistry research. While its specific functional utility remains a subject of ongoing investigation, its composition suggests potential interest in advanced electrochemical or catalytic research environments where iron-based oxides are frequently employed. The compound serves as a valuable case study for understanding phase stability and structural evolution in complex quaternary oxide systems.
Key Properties
Cross-validated computational properties for Li4Fe5Sb3O16, 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 Li4Fe5Sb3O16, 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 | 1.03 | 0.0403 | -6.955 | 4.80 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.80 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.00 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.15 |
| Cm (No. 8) | — | — | — | — | — |
Applications
Where Li4Fe5Sb3O16 is used.
Frequently Asked Questions
Common questions about Li4Fe5Sb3O16, answered from cross-validated data.
What is Li4Fe5Sb3O16?
Li4Fe5Sb3O16 is a metastable semiconducting quaternary oxide composed of lithium, iron, antimony, and oxygen.
What is Li4Fe5Sb3O16 used for?
What is the band gap of Li4Fe5Sb3O16?
Is Li4Fe5Sb3O16 a metal, semiconductor, or insulator?
Is Li4Fe5Sb3O16 thermodynamically stable?
What is the crystal structure of Li4Fe5Sb3O16?
What is the density of Li4Fe5Sb3O16?
How many polymorphs of Li4Fe5Sb3O16 are known?
What elements does Li4Fe5Sb3O16 contain?
Where does the data for Li4Fe5Sb3O16 come from?
How It Compares
As a unique quaternary oxide, Li4Fe5Sb3O16 occupies a specialized niche in materials science, serving as a distinct example of how iron and antimony can coordinate within a lithium-rich lattice. Unlike simpler binary or ternary oxides, this compound demonstrates a complex structural arrangement that distinguishes it from more common, highly stable mineral-like phases, providing a focused model for exploring metastable semiconducting materials.
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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