Li3CrFe3O8
Li3CrFe3O8 is a metastable semiconducting oxide composed of lithium, chromium, and iron.
About Li3CrFe3O8
Li3CrFe3O8 is a complex oxide containing lithium, chromium, and iron. As a semiconducting material, it represents a unique intersection of transition metal chemistry and lithium-ion coordination, offering a distinct electronic profile for investigation in solid-state physics.
Because it exists in a metastable state, this compound is of significant interest for researchers studying phase transitions and synthetic pathways. Its structural complexity suggests a high degree of sensitivity to processing conditions, making it a subject of interest for those exploring novel oxide architectures.
Key Properties
Cross-validated computational properties for Li3CrFe3O8, aggregated across 2 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 Li3CrFe3O8, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 0.59 | 0.0635 | -7.292 | 4.28 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0756 | -7.280 | 4.04 |
| P63mc (No. 186) | hexagonal | 0.62 | 0.0788 | -7.276 | 4.24 |
| Cmc21 (No. 36) | orthorhombic | 0.59 | 0.1434 | -7.212 | 4.55 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.07 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 4.55 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.51 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 4.85 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 4.79 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.35 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.38 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.04 |
Applications
Where Li3CrFe3O8 is used.
Frequently Asked Questions
Common questions about Li3CrFe3O8, answered from cross-validated data.
What is Li3CrFe3O8?
Li3CrFe3O8 is a metastable semiconducting oxide composed of lithium, chromium, and iron.
What is Li3CrFe3O8 used for?
What is the band gap of Li3CrFe3O8?
Is Li3CrFe3O8 a metal, semiconductor, or insulator?
Is Li3CrFe3O8 thermodynamically stable?
What is the crystal structure of Li3CrFe3O8?
What is the density of Li3CrFe3O8?
How many polymorphs of Li3CrFe3O8 are known?
What elements does Li3CrFe3O8 contain?
Where does the data for Li3CrFe3O8 come from?
How It Compares
As a unique oxide phase, Li3CrFe3O8 serves as a specialized example of ternary transition metal lithium oxides. While it lacks direct structural siblings in this context, it functions as a critical case study for understanding how the incorporation of chromium into iron-based oxide lattices influences overall thermodynamic stability and electronic behavior.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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