I12Rb4Te2
I12Rb4Te2 is a thermodynamically stable semiconducting compound containing rubidium, tellurium, and iodine.
About I12Rb4Te2
I12Rb4Te2 is a complex inorganic compound composed of rubidium, tellurium, and iodine. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions. Its electronic character is defined as semiconducting, making it an intriguing subject for investigations into charge transport and optoelectronic behavior in halide-chalcogenide systems. The compound is currently recognized across multiple structural databases, reflecting its significance in fundamental materials exploration. Its unique stoichiometry allows for diverse bonding environments, which are essential for understanding how complex anionic frameworks influence the overall electronic properties of the material. Researchers study this compound to better understand the interplay between heavy elements and halide coordination in non-traditional semiconductor architectures.
Key Properties
Cross-validated computational properties for I12Rb4Te2, 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 I12Rb4Te2, 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. |
|---|---|---|---|---|---|
| P4/mnc (No. 128) | tetragonal | 1.62 | 0.0000 | -2.613 | 4.36 |
| — | — | — | — | — | 4.21 |
| P4/mnc (No. 128) | — | — | — | — | — |
Applications
Where I12Rb4Te2 is used.
Frequently Asked Questions
Common questions about I12Rb4Te2, answered from cross-validated data.
What is I12Rb4Te2?
I12Rb4Te2 is a thermodynamically stable semiconducting compound containing rubidium, tellurium, and iodine.
What is I12Rb4Te2 used for?
What is the band gap of I12Rb4Te2?
Is I12Rb4Te2 a metal, semiconductor, or insulator?
Is I12Rb4Te2 thermodynamically stable?
What is the crystal structure of I12Rb4Te2?
What is the density of I12Rb4Te2?
How many polymorphs of I12Rb4Te2 are known?
What elements does I12Rb4Te2 contain?
Where does the data for I12Rb4Te2 come from?
How It Compares
As a specialized inorganic compound, I12Rb4Te2 occupies a distinct niche in materials science, serving as a primary example of stable multi-component halide-chalcogenide systems. While it lacks direct structural siblings in this specific classification, it stands as a benchmark for stability within complex ternary systems, providing a foundation for future studies into the synthesis and electronic tuning of similar heavy-element compounds.
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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