Li5Cr2Fe3O10
Li5Cr2Fe3O10 is a metastable semiconducting oxide composed of lithium, chromium, iron, and oxygen.
About Li5Cr2Fe3O10
Li5Cr2Fe3O10 is a complex oxide featuring lithium, chromium, iron, and oxygen. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for fundamental studies in solid-state chemistry and materials design.
Being a metastable phase, this compound requires specific synthesis conditions to stabilize its structure. Its existence across multiple reported structural configurations highlights the intricate coordination chemistry possible within this multi-element oxide system.
Key Properties
Cross-validated computational properties for Li5Cr2Fe3O10, 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 Li5Cr2Fe3O10, 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 | 1.09 | 0.0396 | -7.278 | 4.14 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.14 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.63 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.43 |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where Li5Cr2Fe3O10 is used.
Frequently Asked Questions
Common questions about Li5Cr2Fe3O10, answered from cross-validated data.
What is Li5Cr2Fe3O10?
Li5Cr2Fe3O10 is a metastable semiconducting oxide composed of lithium, chromium, iron, and oxygen.
What is Li5Cr2Fe3O10 used for?
What is the band gap of Li5Cr2Fe3O10?
Is Li5Cr2Fe3O10 a metal, semiconductor, or insulator?
Is Li5Cr2Fe3O10 thermodynamically stable?
What is the crystal structure of Li5Cr2Fe3O10?
What is the density of Li5Cr2Fe3O10?
How many polymorphs of Li5Cr2Fe3O10 are known?
What elements does Li5Cr2Fe3O10 contain?
Where does the data for Li5Cr2Fe3O10 come from?
How It Compares
As a unique multi-component oxide, Li5Cr2Fe3O10 represents a specialized niche in materials science. Without direct structural siblings, it serves as an important case study for understanding how the interplay of transition metals and lithium ions influences the stability and electronic behavior of complex oxide frameworks.
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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