Li3Fe4SbO8
Li3Fe4SbO8 is a thermodynamically stable semiconducting quaternary oxide containing lithium, iron, antimony, and oxygen.
About Li3Fe4SbO8
Li3Fe4SbO8 is a complex quaternary oxide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of lithium, iron, antimony, and oxygen atoms. The material is characterized by a well-defined atomic framework that has been documented across multiple structural databases, highlighting its significance in solid-state chemistry. Its stability suggests potential for long-term performance in applications where structural integrity is paramount. Researchers study this compound to better understand the interplay between its transition metal components and its semiconducting properties, which are essential for developing next-generation electronic and energy-related materials.
Key Properties
Cross-validated computational properties for Li3Fe4SbO8, 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 Li3Fe4SbO8, 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 | 1.51 | 0.0000 | -7.057 | 4.92 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.92 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.13 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.26 |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Li3Fe4SbO8 is used.
Frequently Asked Questions
Common questions about Li3Fe4SbO8, answered from cross-validated data.
What is Li3Fe4SbO8?
Li3Fe4SbO8 is a thermodynamically stable semiconducting quaternary oxide containing lithium, iron, antimony, and oxygen.
What is Li3Fe4SbO8 used for?
What is the band gap of Li3Fe4SbO8?
Is Li3Fe4SbO8 a metal, semiconductor, or insulator?
Is Li3Fe4SbO8 thermodynamically stable?
What is the crystal structure of Li3Fe4SbO8?
What is the density of Li3Fe4SbO8?
How many polymorphs of Li3Fe4SbO8 are known?
What elements does Li3Fe4SbO8 contain?
Where does the data for Li3Fe4SbO8 come from?
How It Compares
As a unique quaternary oxide, Li3Fe4SbO8 occupies a distinct position within the landscape of complex lithium-based materials. While many similar oxides are prone to phase instability, this compound is notable for its thermodynamic stability, making it a reliable subject for structural analysis and experimental synthesis compared to more metastable counterparts in the broader class of iron-antimony oxides.
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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