I14Nb6Te2
I14Nb6Te2 is a thermodynamically stable semiconducting compound containing niobium, tellurium, and iodine.
About I14Nb6Te2
I14Nb6Te2 is a complex inorganic compound composed of niobium, tellurium, and iodine. As a thermodynamically stable material situated on the convex hull, it represents a robust structural arrangement within its chemical system.
This material exhibits semiconducting electronic properties, making it an intriguing candidate for fundamental studies in solid-state physics. Its existence across multiple crystallographic databases highlights its significance as a well-defined, stable phase in materials research.
Key Properties
Cross-validated computational properties for I14Nb6Te2, 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 I14Nb6Te2, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 0.51 | 0.0000 | -4.833 | 5.76 |
| P3m1 (No. 156) | trigonal | 0.48 | 0.0009 | -4.832 | 5.80 |
| P63mc (No. 186) | — | — | — | — | — |
| — | — | — | — | — | 4.09 |
Applications
Where I14Nb6Te2 is used.
Frequently Asked Questions
Common questions about I14Nb6Te2, answered from cross-validated data.
What is I14Nb6Te2?
I14Nb6Te2 is a thermodynamically stable semiconducting compound containing niobium, tellurium, and iodine.
What is I14Nb6Te2 used for?
What is the band gap of I14Nb6Te2?
Is I14Nb6Te2 a metal, semiconductor, or insulator?
Is I14Nb6Te2 thermodynamically stable?
What is the crystal structure of I14Nb6Te2?
What is the density of I14Nb6Te2?
How many polymorphs of I14Nb6Te2 are known?
What elements does I14Nb6Te2 contain?
Where does the data for I14Nb6Te2 come from?
How It Compares
As a unique member of the niobium-tellurium-iodine system, this compound serves as a critical reference point for understanding the interplay between transition metals and chalcogen-halide frameworks in stable, semiconducting solid-state structures.
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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