Tl6WO12
Tl6WO12 is a semiconducting thallium tungsten oxide that is considered thermodynamically stable enough to be synthesized for experimental investigation.
About Tl6WO12
Tl6WO12 is a complex ternary oxide featuring thallium and tungsten. It exhibits semiconducting electronic properties, positioning it as an intriguing subject for studies into specialized electronic materials and oxide chemistry.
Given its status as a near-hull phase, the compound is considered thermodynamically accessible and likely synthesizable. Its existence across multiple structural databases underscores its relevance in the landscape of complex metal oxides.
Key Properties
Cross-validated computational properties for Tl6WO12, 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 Tl6WO12, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 0.13 | 0.0141 | -5.872 | 10.24 |
| R-3 (No. 148) | — | — | — | — | — |
| R-3 (No. 148) | Trigonal | — | — | — | 10.69 |
| R-3 (No. 148) | Trigonal | — | — | — | 9.85 |
| R-3 (No. 148) | Trigonal | — | — | — | 10.19 |
Applications
Where Tl6WO12 is used.
Frequently Asked Questions
Common questions about Tl6WO12, answered from cross-validated data.
What is Tl6WO12?
Tl6WO12 is a semiconducting thallium tungsten oxide that is considered thermodynamically stable enough to be synthesized for experimental investigation.
What is Tl6WO12 used for?
What is the band gap of Tl6WO12?
Is Tl6WO12 a metal, semiconductor, or insulator?
Is Tl6WO12 thermodynamically stable?
What is the crystal structure of Tl6WO12?
What is the density of Tl6WO12?
How many polymorphs of Tl6WO12 are known?
What elements does Tl6WO12 contain?
Where does the data for Tl6WO12 come from?
How It Compares
As a unique ternary oxide within its structural family, Tl6WO12 serves as a specialized example of thallium-based tungstates. It occupies a distinct niche in materials science where the interplay between heavy metal cations and the tungsten-oxygen framework dictates its specific semiconducting behavior.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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