Li4V3Cr2O10
Li4V3Cr2O10 is a metastable, semiconducting lithium-vanadium-chromium oxide used in advanced materials research.
About Li4V3Cr2O10
Li4V3Cr2O10 is a complex oxide featuring a combination of lithium, vanadium, and chromium. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for fundamental research into transition metal oxides. Its metastable nature suggests a delicate balance of structural arrangements that can be tuned through synthesis conditions. The existence of multiple reported structures across databases highlights its structural versatility and the ongoing efforts to map its phase space. This compound serves as a valuable case study for understanding how mixed-metal oxide frameworks respond to various processing environments, providing insights into the stability and electronic behavior of multi-component lithium-based ceramics.
Key Properties
Cross-validated computational properties for Li4V3Cr2O10, 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 Li4V3Cr2O10, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 1.05 | 0.0764 | -7.851 | 3.94 |
| P1 (No. 1) | Triclinic | — | — | — | 3.94 |
| P1 (No. 1) | Triclinic | — | — | — | 4.29 |
| P1 (No. 1) | Triclinic | — | — | — | 4.13 |
| P1 (No. 1) | — | — | — | — | — |
Applications
Where Li4V3Cr2O10 is used.
Frequently Asked Questions
Common questions about Li4V3Cr2O10, answered from cross-validated data.
What is Li4V3Cr2O10?
Li4V3Cr2O10 is a metastable, semiconducting lithium-vanadium-chromium oxide used in advanced materials research.
What is Li4V3Cr2O10 used for?
What is the band gap of Li4V3Cr2O10?
Is Li4V3Cr2O10 a metal, semiconductor, or insulator?
Is Li4V3Cr2O10 thermodynamically stable?
What is the crystal structure of Li4V3Cr2O10?
What is the density of Li4V3Cr2O10?
How many polymorphs of Li4V3Cr2O10 are known?
What elements does Li4V3Cr2O10 contain?
Where does the data for Li4V3Cr2O10 come from?
How It Compares
As a unique multi-component oxide, Li4V3Cr2O10 occupies a specialized niche in materials science. Without direct structural siblings in its immediate class, it stands as an independent example of how integrating vanadium and chromium within a lithium-rich oxide lattice can yield metastable semiconducting phases, offering a distinct alternative to simpler binary or ternary oxides.
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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