Li2Fe3CuO8
Li2Fe3CuO8 is a metastable, semimetallic oxide material within the spinel and hexagonal ferrite family used primarily for structural and electronic research.
About Li2Fe3CuO8
Li2Fe3CuO8 is a complex oxide belonging to the spinel and hexagonal ferrite family. Characterized by its near-zero-gap electronic structure, this material exhibits semimetallic behavior that distinguishes it from many of its insulating spinel counterparts. Its metastable nature makes it a subject of significant interest for researchers investigating phase stability and structural transformations in transition metal oxides. The material is documented across multiple databases, reflecting its status as a notable subject for computational and experimental study in solid-state chemistry. It is primarily utilized in fundamental research to better understand the interplay between cationic distribution and electronic properties in ferrites.
Key Properties
Cross-validated computational properties for Li2Fe3CuO8, 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 Li2Fe3CuO8, 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. |
|---|---|---|---|---|---|
| P4332 (No. 212) | cubic | 0.06 | 0.0426 | -6.748 | 4.16 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0491 | -6.742 | 4.17 |
| P-1 (No. 2) | triclinic | 0.00 | 0.0827 | -6.708 | 4.12 |
| P213 (No. 198) | cubic | 0.00 | 0.0849 | -6.706 | 4.20 |
| P63mc (No. 186) | hexagonal | 0.00 | 0.0866 | -6.704 | 4.29 |
| P1 (No. 1) | triclinic | 0.00 | 0.0868 | -6.704 | 4.23 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0908 | -6.700 | 4.15 |
| R3m (No. 160) | trigonal | 0.00 | 0.0938 | -6.697 | 4.24 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.73 |
| C2/m (No. 12) | — | — | — | — | — |
| R-3m (No. 166) | Trigonal | — | — | — | 4.17 |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Li2Fe3CuO8 is used.
Frequently Asked Questions
Common questions about Li2Fe3CuO8, answered from cross-validated data.
What is Li2Fe3CuO8?
Li2Fe3CuO8 is a metastable, semimetallic oxide material within the spinel and hexagonal ferrite family used primarily for structural and electronic research.
What is Li2Fe3CuO8 used for?
What is the band gap of Li2Fe3CuO8?
Is Li2Fe3CuO8 a metal, semiconductor, or insulator?
Is Li2Fe3CuO8 thermodynamically stable?
What is the crystal structure of Li2Fe3CuO8?
What is the density of Li2Fe3CuO8?
How many polymorphs of Li2Fe3CuO8 are known?
What elements does Li2Fe3CuO8 contain?
Where does the data for Li2Fe3CuO8 come from?
How It Compares
Within the spinel and hexagonal ferrites class.
Within the broad class of spinel and hexagonal ferrites, Li2Fe3CuO8 stands out due to its semimetallic character, which contrasts with the typically semiconducting or insulating nature of common spinels like MgFe2O4 or ZnFe2O4. While many members of this group are prized for their magnetic properties, the electronic state of this specific compound suggests a different potential for charge transport compared to the more conventional ferrites like MnFe2O4 or the perovskite-related SrFeO3.
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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