I8O2Ta8Te18
This complex inorganic compound is a tantalum-based telluride that incorporates iodine and oxygen within its crystal lattice. It is primarily studied in academic research for its unique structural properties and potential electronic behavior in the field of condensed matter physics.
Key Properties
Cross-validated computational properties for I8O2Ta8Te18, 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 I8O2Ta8Te18, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 0.39 | 0.0209 | -5.670 | 6.40 |
| C2/c (No. 15) | — | — | — | — | — |
| — | — | — | — | — | 6.01 |
Applications
Where I8O2Ta8Te18 is used.
Frequently Asked Questions
Common questions about I8O2Ta8Te18, answered from cross-validated data.
What is I8O2Ta8Te18?
This complex inorganic compound is a tantalum-based telluride that incorporates iodine and oxygen within its crystal lattice. It is primarily studied in academic research for its unique structural properties and potential electronic behavior in the field of condensed matter physics.
What is I8O2Ta8Te18 used for?
What is the band gap of I8O2Ta8Te18?
Is I8O2Ta8Te18 a metal, semiconductor, or insulator?
Is I8O2Ta8Te18 thermodynamically stable?
What is the crystal structure of I8O2Ta8Te18?
What is the density of I8O2Ta8Te18?
How many polymorphs of I8O2Ta8Te18 are known?
What elements does I8O2Ta8Te18 contain?
Where does the data for I8O2Ta8Te18 come from?
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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