LiFeSbO4
LiFeSbO4 is a thermodynamically stable, semiconducting quaternary oxide composed of lithium, iron, antimony, and oxygen.
About LiFeSbO4
LiFeSbO4 is a complex oxide compound characterized by its semiconducting electronic nature. As a material that sits on the convex hull, it exhibits significant thermodynamic stability, making it a robust candidate for structural investigations and fundamental materials science studies. The compound has been documented across multiple databases, reflecting a notable interest in its atomic configuration. Its stability profile suggests it can maintain its integrity under various conditions, which is a critical trait for materials intended for long-term functional applications. By bridging lithium, iron, and antimony within an oxygen framework, it offers a unique platform for exploring ion mobility and electronic transitions.
Key Properties
Cross-validated computational properties for LiFeSbO4, 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 LiFeSbO4, 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. |
|---|---|---|---|---|---|
| Imma (No. 74) | orthorhombic | 1.35 | 0.0000 | -6.852 | 4.84 |
| P4322 (No. 95) | tetragonal | 1.45 | 0.0023 | -6.850 | 4.97 |
| P4322 (No. 95) | Tetragonal | — | — | — | 4.97 |
| P4322 (No. 95) | Tetragonal | — | — | — | 5.36 |
| Imma (No. 74) | Orthorhombic | — | — | — | 5.01 |
| Imma (No. 74) | Orthorhombic | — | — | — | 5.17 |
| P4322 (No. 95) | Tetragonal | — | — | — | 5.20 |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.84 |
| Imma (No. 74) | — | — | — | — | — |
| Imma (No. 74) | — | — | — | — | — |
Applications
Where LiFeSbO4 is used.
Frequently Asked Questions
Common questions about LiFeSbO4, answered from cross-validated data.
What is LiFeSbO4?
LiFeSbO4 is a thermodynamically stable, semiconducting quaternary oxide composed of lithium, iron, antimony, and oxygen.
What is LiFeSbO4 used for?
What is the band gap of LiFeSbO4?
Is LiFeSbO4 a metal, semiconductor, or insulator?
Is LiFeSbO4 thermodynamically stable?
What is the crystal structure of LiFeSbO4?
What is the density of LiFeSbO4?
How many polymorphs of LiFeSbO4 are known?
What elements does LiFeSbO4 contain?
Where does the data for LiFeSbO4 come from?
How It Compares
As a distinct quaternary oxide, LiFeSbO4 occupies a specialized niche within the landscape of lithium-containing transition metal compounds. While many similar oxides are explored for their electrochemical versatility, this compound is notable for its confirmed thermodynamic stability, which distinguishes it from more metastable phases that may require specific synthesis routes to stabilize. It serves as a valuable reference point for researchers mapping the phase space of complex lithium-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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