I2Ta2Te8
I2Ta2Te8 is a stable, semiconducting inorganic compound containing tantalum, tellurium, and iodine.
About I2Ta2Te8
I2Ta2Te8 is a distinct inorganic compound composed of tantalum, tellurium, and iodine. As a thermodynamically stable material situated on the convex hull, it represents a robust phase within its chemical system, offering reliable structural integrity for advanced material investigations.
This compound exhibits semiconducting electronic character, making it a subject of interest for researchers exploring electronic and optoelectronic applications. Its presence across multiple structural databases underscores its significance as a well-defined and reproducible material in solid-state chemistry.
Key Properties
Cross-validated computational properties for I2Ta2Te8, 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 I2Ta2Te8, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 0.56 | 0.0000 | -4.954 | 6.54 |
| P-1 (No. 2) | — | — | — | — | — |
| — | — | — | — | — | 5.55 |
Applications
Where I2Ta2Te8 is used.
Frequently Asked Questions
Common questions about I2Ta2Te8, answered from cross-validated data.
What is I2Ta2Te8?
I2Ta2Te8 is a stable, semiconducting inorganic compound containing tantalum, tellurium, and iodine.
What is I2Ta2Te8 used for?
What is the band gap of I2Ta2Te8?
Is I2Ta2Te8 a metal, semiconductor, or insulator?
Is I2Ta2Te8 thermodynamically stable?
What is the crystal structure of I2Ta2Te8?
What is the density of I2Ta2Te8?
How many polymorphs of I2Ta2Te8 are known?
What elements does I2Ta2Te8 contain?
Where does the data for I2Ta2Te8 come from?
How It Compares
As a unique ternary compound, I2Ta2Te8 serves as an essential reference point for understanding the interplay between transition metals, chalcogens, and halogens in complex crystalline lattices, providing a stable baseline for exploring the broader landscape of tantalum-based semiconductors.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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