O16Tl2V6
O16Tl2V6 is a stable semiconducting thallium vanadium oxide used in materials research.
About O16Tl2V6
O16Tl2V6 is a complex thallium vanadium oxide that exists as a thermodynamically stable phase on the convex hull. Its electronic character as a semiconductor makes it a subject of interest for researchers investigating the interplay between heavy metal cations and transition metal oxide frameworks. The compound is supported by multiple reported structural entries across major materials databases, highlighting its significance in solid-state chemistry. It serves as a valuable model for understanding the stability and electronic behavior of ternary thallium-vanadium-oxygen systems, which are essential for developing functional inorganic materials. Its predictable stability suggests potential for integration into specialized electronic or catalytic applications where robust, well-defined oxide structures are required.
Key Properties
Cross-validated computational properties for O16Tl2V6, 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 O16Tl2V6, 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. |
|---|---|---|---|---|---|
| P21/m (No. 11) | monoclinic | 2.00 | 0.0000 | -7.959 | 4.95 |
| — | — | — | — | — | 4.47 |
| P21/m (No. 11) | — | — | — | — | — |
| P21/m (No. 11) | — | — | — | — | — |
Applications
Where O16Tl2V6 is used.
Frequently Asked Questions
Common questions about O16Tl2V6, answered from cross-validated data.
What is O16Tl2V6?
O16Tl2V6 is a stable semiconducting thallium vanadium oxide used in materials research.
What is O16Tl2V6 used for?
What is the band gap of O16Tl2V6?
Is O16Tl2V6 a metal, semiconductor, or insulator?
Is O16Tl2V6 thermodynamically stable?
What is the crystal structure of O16Tl2V6?
What is the density of O16Tl2V6?
How many polymorphs of O16Tl2V6 are known?
What elements does O16Tl2V6 contain?
Where does the data for O16Tl2V6 come from?
How It Compares
As a thermodynamically stable ternary oxide, O16Tl2V6 represents a distinct structural arrangement within the broader landscape of thallium-based vanadium oxides, offering a reliable baseline for studying the electronic properties of this material family.
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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