Li4O20Te4V4
Li4O20Te4V4 is a semiconducting lithium tellurovanadate oxide that is considered a promising candidate for experimental synthesis due to its favorable thermodynamic stability.
About Li4O20Te4V4
Li4O20Te4V4 is a complex lithium-based oxide featuring tellurium and vanadium. As a semiconducting material, it represents a unique intersection of transition metal chemistry and chalcogen-based frameworks, offering a distinct electronic landscape for potential functional applications.
This compound is recognized as being near the thermodynamic hull, suggesting it is a viable candidate for experimental synthesis. Its structural complexity is highlighted by multiple reported configurations, marking it as an intriguing subject for ongoing materials discovery and characterization efforts.
Key Properties
Cross-validated computational properties for Li4O20Te4V4, 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 Li4O20Te4V4, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 2.79 | 0.0026 | -6.936 | 4.12 |
| Pnma (No. 62) | orthorhombic | 2.58 | 0.0931 | -6.846 | 4.00 |
| P212121 (No. 19) | orthorhombic | 2.99 | 0.0934 | -6.845 | 3.36 |
| P212121 (No. 19) | orthorhombic | 2.11 | 0.4718 | -6.467 | 2.75 |
| P212121 (No. 19) | orthorhombic | 0.98 | 0.6534 | -6.285 | 3.14 |
| — | — | — | — | — | 4.00 |
| — | — | — | — | — | 4.00 |
| — | — | — | — | — | 4.13 |
| P212121 (No. 19) | — | — | — | — | — |
| — | — | — | — | — | 4.03 |
| — | — | — | — | — | 4.00 |
Applications
Where Li4O20Te4V4 is used.
Frequently Asked Questions
Common questions about Li4O20Te4V4, answered from cross-validated data.
What is Li4O20Te4V4?
Li4O20Te4V4 is a semiconducting lithium tellurovanadate oxide that is considered a promising candidate for experimental synthesis due to its favorable thermodynamic stability.
What is Li4O20Te4V4 used for?
What is the band gap of Li4O20Te4V4?
Is Li4O20Te4V4 a metal, semiconductor, or insulator?
Is Li4O20Te4V4 thermodynamically stable?
What is the crystal structure of Li4O20Te4V4?
What is the density of Li4O20Te4V4?
How many polymorphs of Li4O20Te4V4 are known?
What elements does Li4O20Te4V4 contain?
Where does the data for Li4O20Te4V4 come from?
How It Compares
As a specialized lithium tellurovanadate, this compound occupies a niche position within complex oxide chemistry. While it lacks direct siblings in this specific dataset, it serves as a representative example of how integrating vanadium and tellurium into a lithium-rich framework can yield stable, semiconducting materials with diverse structural possibilities.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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