Li5V5Cr2O12
Li5V5Cr2O12 is a metastable semiconducting oxide composed of lithium, vanadium, chromium, and oxygen.
About Li5V5Cr2O12
Li5V5Cr2O12 is a complex oxide featuring a combination of lithium, vanadium, chromium, and oxygen. As a semiconducting material, it exhibits electronic properties that are of significant interest for researchers investigating multi-component transition metal oxides. Its metastable nature suggests that its synthesis and structural integrity are highly sensitive to processing conditions, making it a subject of focused study in solid-state chemistry. The compound is documented across multiple structural databases, highlighting its role as a distinct phase in the broader landscape of complex oxide materials.
Key Properties
Cross-validated computational properties for Li5V5Cr2O12, 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 Li5V5Cr2O12, 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 (No. 5) | monoclinic | 0.28 | 0.0568 | -7.923 | 4.22 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.22 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.59 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.44 |
| C2 (No. 5) | — | — | — | — | — |
Applications
Where Li5V5Cr2O12 is used.
Frequently Asked Questions
Common questions about Li5V5Cr2O12, answered from cross-validated data.
What is Li5V5Cr2O12?
Li5V5Cr2O12 is a metastable semiconducting oxide composed of lithium, vanadium, chromium, and oxygen.
What is Li5V5Cr2O12 used for?
What is the band gap of Li5V5Cr2O12?
Is Li5V5Cr2O12 a metal, semiconductor, or insulator?
Is Li5V5Cr2O12 thermodynamically stable?
What is the crystal structure of Li5V5Cr2O12?
What is the density of Li5V5Cr2O12?
How many polymorphs of Li5V5Cr2O12 are known?
What elements does Li5V5Cr2O12 contain?
Where does the data for Li5V5Cr2O12 come from?
How It Compares
As a unique multi-element oxide, Li5V5Cr2O12 occupies a specialized niche in materials science. Without direct structural siblings in its immediate class, it serves as an important case study for understanding how the integration of vanadium and chromium into a lithium-based oxide framework influences electronic behavior and structural stability.
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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