Li4Fe3CuO8
Li4Fe3CuO8 is a metastable, semimetallic complex oxide that fits within the broader structural category of spinel and hexagonal ferrites.
About Li4Fe3CuO8
Li4Fe3CuO8 is a complex oxide belonging to the spinel and hexagonal ferrite family. Characterized by its near-zero-gap electronic structure, this material acts as a semimetal, which distinguishes it from the typical insulating behavior often found in related oxide ceramics. Its metastable nature suggests unique synthesis pathways are required to stabilize its specific atomic arrangement.
Due to its distinct electronic profile, this compound is a subject of interest for researchers investigating advanced magnetic and conductive materials. While it shares the structural framework of classic ferrites, its specific cation composition makes it a specialized candidate for exploring electronic transitions and potential applications in multifunctional electronic components.
Key Properties
Cross-validated computational properties for Li4Fe3CuO8, 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 Li4Fe3CuO8, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.06 | 0.0367 | -6.580 | 4.31 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.31 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.54 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.46 |
| R-3m (No. 166) | — | — | — | — | — |
Applications
Where Li4Fe3CuO8 is used.
Frequently Asked Questions
Common questions about Li4Fe3CuO8, answered from cross-validated data.
What is Li4Fe3CuO8?
Li4Fe3CuO8 is a metastable, semimetallic complex oxide that fits within the broader structural category of spinel and hexagonal ferrites.
What is Li4Fe3CuO8 used for?
What is the band gap of Li4Fe3CuO8?
Is Li4Fe3CuO8 a metal, semiconductor, or insulator?
Is Li4Fe3CuO8 thermodynamically stable?
What is the crystal structure of Li4Fe3CuO8?
What is the density of Li4Fe3CuO8?
How many polymorphs of Li4Fe3CuO8 are known?
What elements does Li4Fe3CuO8 contain?
Where does the data for Li4Fe3CuO8 come from?
How It Compares
Within the spinel and hexagonal ferrites class.
Within the broad class of spinel and hexagonal ferrites, Li4Fe3CuO8 stands out for its semimetallic character compared to the more conventional insulating or semiconducting behavior of members like MgFe2O4 or ZnFe2O4. While many ferrites in this group are prized for their robust magnetic properties, the electronic state of this compound positions it as a more exotic member of the family, diverging from the standard ferrite oxides that typically exhibit wider gaps.
Related Compounds
Other Spinel and Hexagonal Ferrites in the database.
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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