Li4Cr3FeO8
Li4Cr3FeO8 is a thermodynamically stable, semiconducting quaternary oxide composed of lithium, chromium, iron, and oxygen.
About Li4Cr3FeO8
Li4Cr3FeO8 is a complex quaternary oxide that exhibits semiconducting electronic behavior. Its position on the convex hull confirms that it is a thermodynamically stable phase, making it a robust candidate for structural and electrochemical investigations. The material has been extensively documented across multiple databases, reflecting significant interest in its atomic arrangement and potential utility in solid-state systems. Its stable configuration suggests it can withstand various processing conditions, which is essential for developing reliable functional materials. By leveraging the interplay between lithium, chromium, and iron cations within an oxygen framework, this compound offers a unique platform for exploring charge transport and ionic mobility in oxide lattices.
Key Properties
Cross-validated computational properties for Li4Cr3FeO8, 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 Li4Cr3FeO8, 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 | 2.35 | 0.0000 | -7.584 | 4.12 |
| P-1 (No. 2) | triclinic | 2.47 | 0.0001 | -7.584 | 4.12 |
| P2/m (No. 10) | monoclinic | 2.38 | 0.0002 | -7.584 | 4.12 |
| C2/m (No. 12) | monoclinic | 0.02 | 0.0007 | -7.583 | 4.13 |
| P-1 (No. 2) | triclinic | 2.21 | 0.0070 | -7.577 | 4.10 |
| P-1 (No. 2) | triclinic | 2.35 | 0.0174 | -7.566 | 4.21 |
| R-3m (No. 166) | trigonal | 2.15 | 0.0178 | -7.566 | 4.23 |
| P-1 (No. 2) | triclinic | 2.34 | 0.0187 | -7.565 | 4.21 |
| P-1 (No. 2) | triclinic | 2.39 | 0.0195 | -7.564 | 4.21 |
| P-1 (No. 2) | triclinic | 2.45 | 0.0195 | -7.564 | 4.21 |
| P1 (No. 1) | triclinic | 1.78 | 0.0243 | -7.559 | 4.24 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.23 |
Applications
Where Li4Cr3FeO8 is used.
Frequently Asked Questions
Common questions about Li4Cr3FeO8, answered from cross-validated data.
What is Li4Cr3FeO8?
Li4Cr3FeO8 is a thermodynamically stable, semiconducting quaternary oxide composed of lithium, chromium, iron, and oxygen.
What is Li4Cr3FeO8 used for?
What is the band gap of Li4Cr3FeO8?
Is Li4Cr3FeO8 a metal, semiconductor, or insulator?
Is Li4Cr3FeO8 thermodynamically stable?
What is the crystal structure of Li4Cr3FeO8?
What is the density of Li4Cr3FeO8?
How many polymorphs of Li4Cr3FeO8 are known?
What elements does Li4Cr3FeO8 contain?
Where does the data for Li4Cr3FeO8 come from?
How It Compares
As a distinct quaternary oxide, Li4Cr3FeO8 represents a specialized structural configuration within the broader landscape of lithium-based transition metal oxides. While many materials in this category are explored for their battery-related properties, this compound stands out for its inherent thermodynamic stability and well-defined semiconducting nature, providing a stable baseline for comparative studies of electronic properties in complex metal oxides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
Analyze Li4Cr3FeO8 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →