Li4CrFe3O8
Li4CrFe3O8 is a semiconducting lithium-chromium-iron oxide that is considered a promising candidate for synthesis and further study in electrochemical applications.
About Li4CrFe3O8
Li4CrFe3O8 is a complex oxide composed of lithium, chromium, iron, and oxygen. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for advanced electrochemical systems and battery research.
The compound is recognized for its near-hull thermodynamic stability, suggesting it is a viable candidate for experimental synthesis. With dozens of reported structural configurations across major databases, it remains a significant focus for researchers exploring new multi-metal oxide frameworks.
Key Properties
Cross-validated computational properties for Li4CrFe3O8, 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 Li4CrFe3O8, 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 | 1.90 | 0.0038 | -7.200 | 4.15 |
| P-1 (No. 2) | triclinic | 1.77 | 0.0039 | -7.200 | 4.15 |
| P-1 (No. 2) | triclinic | 1.75 | 0.0040 | -7.200 | 4.12 |
| P-1 (No. 2) | triclinic | 1.83 | 0.0041 | -7.200 | 4.12 |
| C2/m (No. 12) | monoclinic | 1.77 | 0.0043 | -7.199 | 4.13 |
| P-1 (No. 2) | triclinic | 1.81 | 0.0043 | -7.199 | 4.13 |
| P2/m (No. 10) | monoclinic | 1.82 | 0.0044 | -7.199 | 4.15 |
| P-1 (No. 2) | triclinic | 1.78 | 0.0044 | -7.199 | 4.14 |
| C2/m (No. 12) | monoclinic | 1.76 | 0.0046 | -7.199 | 4.13 |
| R-3m (No. 166) | trigonal | 1.76 | 0.0049 | -7.199 | 4.12 |
| P-1 (No. 2) | triclinic | 0.00 | 1.1049 | -6.099 | 4.14 |
| P-1 (No. 2) | triclinic | 0.00 | 1.1159 | -6.088 | 4.12 |
Applications
Where Li4CrFe3O8 is used.
Frequently Asked Questions
Common questions about Li4CrFe3O8, answered from cross-validated data.
What is Li4CrFe3O8?
Li4CrFe3O8 is a semiconducting lithium-chromium-iron oxide that is considered a promising candidate for synthesis and further study in electrochemical applications.
What is Li4CrFe3O8 used for?
What is the band gap of Li4CrFe3O8?
Is Li4CrFe3O8 a metal, semiconductor, or insulator?
Is Li4CrFe3O8 thermodynamically stable?
What is the crystal structure of Li4CrFe3O8?
What is the density of Li4CrFe3O8?
How many polymorphs of Li4CrFe3O8 are known?
What elements does Li4CrFe3O8 contain?
Where does the data for Li4CrFe3O8 come from?
How It Compares
As an unclassified complex oxide, Li4CrFe3O8 occupies a unique niche in materials science, serving as a representative example of how transition metal substitution can be used to tune the electronic behavior of lithium-based frameworks.
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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