Li4Fe5SbO12
Li4Fe5SbO12 is a metastable semiconducting oxide containing lithium, iron, and antimony.
About Li4Fe5SbO12
Li4Fe5SbO12 is a complex oxide composed of lithium, iron, antimony, and oxygen. As a semiconducting material, it represents a unique arrangement of transition metal and main group elements within a crystalline framework.
This compound is categorized as metastable, reflecting the delicate energy landscape required for its synthesis. Its existence across multiple reported structures highlights its significance in fundamental materials science studies where structural diversity is a key focus.
Key Properties
Cross-validated computational properties for Li4Fe5SbO12, 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 Li4Fe5SbO12, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.49 | 0.1000 | -6.994 | 4.24 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.24 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.69 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.49 |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Li4Fe5SbO12 is used.
Frequently Asked Questions
Common questions about Li4Fe5SbO12, answered from cross-validated data.
What is Li4Fe5SbO12?
Li4Fe5SbO12 is a metastable semiconducting oxide containing lithium, iron, and antimony.
What is Li4Fe5SbO12 used for?
What is the band gap of Li4Fe5SbO12?
Is Li4Fe5SbO12 a metal, semiconductor, or insulator?
Is Li4Fe5SbO12 thermodynamically stable?
What is the crystal structure of Li4Fe5SbO12?
What is the density of Li4Fe5SbO12?
How many polymorphs of Li4Fe5SbO12 are known?
What elements does Li4Fe5SbO12 contain?
Where does the data for Li4Fe5SbO12 come from?
How It Compares
As a unique oxide composition, Li4Fe5SbO12 serves as a specialized subject within the broader field of lithium-based transition metal oxides, offering a distinct electronic profile compared to more common battery-related 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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