As2O8Tl6
As2O8Tl6 is a thermodynamically stable semiconducting inorganic compound containing arsenic, oxygen, and thallium.
About As2O8Tl6
As2O8Tl6 is a distinct inorganic compound composed of arsenic, oxygen, and thallium. It exhibits semiconducting electronic characteristics and occupies a stable position on the thermodynamic convex hull, indicating favorable structural integrity under standard conditions.
This material is of interest to researchers investigating complex oxide systems. Its presence in multiple crystallographic databases highlights its importance as a subject for structural analysis and potential electronic applications in specialized material frameworks.
Key Properties
Cross-validated computational properties for As2O8Tl6, 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 As2O8Tl6, 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. |
|---|---|---|---|---|---|
| P63 (No. 173) | hexagonal | 2.58 | 0.0000 | -5.373 | 7.34 |
| — | — | — | — | — | 6.42 |
| P63 (No. 173) | — | — | — | — | — |
Frequently Asked Questions
Common questions about As2O8Tl6, answered from cross-validated data.
What is As2O8Tl6?
As2O8Tl6 is a thermodynamically stable semiconducting inorganic compound containing arsenic, oxygen, and thallium.
What is the band gap of As2O8Tl6?
Is As2O8Tl6 a metal, semiconductor, or insulator?
Is As2O8Tl6 thermodynamically stable?
What is the crystal structure of As2O8Tl6?
What is the density of As2O8Tl6?
How many polymorphs of As2O8Tl6 are known?
What elements does As2O8Tl6 contain?
Where does the data for As2O8Tl6 come from?
How It Compares
As a unique inorganic compound, As2O8Tl6 serves as a foundational reference point for studying arsenic-thallium-oxygen systems, representing a stable phase within its chemical space.
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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