I8Nb8Te34
I8Nb8Te34 is a metastable semiconducting compound containing iodine, niobium, and tellurium.
About I8Nb8Te34
I8Nb8Te34 is a complex inorganic compound composed of iodine, niobium, and tellurium. As a semiconducting material, it represents a specialized niche in solid-state chemistry, characterized by its intricate atomic arrangement and potential for unique electronic behaviors.
Because this compound sits above the thermodynamic hull, it is considered a metastable phase. Its existence in multiple reported structures highlights the ongoing interest in exploring the structural diversity of niobium-based chalcogenide-halide systems.
Key Properties
Cross-validated computational properties for I8Nb8Te34, 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 I8Nb8Te34, 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 | 0.98 | 0.2661 | -4.387 | 5.50 |
| — | — | — | — | — | 4.82 |
| C2/c (No. 15) | — | — | — | — | — |
Applications
Where I8Nb8Te34 is used.
Frequently Asked Questions
Common questions about I8Nb8Te34, answered from cross-validated data.
What is I8Nb8Te34?
I8Nb8Te34 is a metastable semiconducting compound containing iodine, niobium, and tellurium.
What is I8Nb8Te34 used for?
What is the band gap of I8Nb8Te34?
Is I8Nb8Te34 a metal, semiconductor, or insulator?
Is I8Nb8Te34 thermodynamically stable?
What is the crystal structure of I8Nb8Te34?
What is the density of I8Nb8Te34?
How many polymorphs of I8Nb8Te34 are known?
What elements does I8Nb8Te34 contain?
Where does the data for I8Nb8Te34 come from?
How It Compares
As a unique ternary phase, I8Nb8Te34 serves as a distinct example of how iodine can be integrated into niobium-telluride frameworks to tune electronic properties, representing a specialized case within the broader landscape of complex semiconducting chalcogenides.
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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