Bi4I4O12Te4
Bi4I4O12Te4 is a semiconducting quaternary compound composed of bismuth, iodine, oxygen, and tellurium that is considered a promising candidate for experimental synthesis.
About Bi4I4O12Te4
Bi4I4O12Te4 is a complex quaternary inorganic compound featuring bismuth, iodine, oxygen, and tellurium. As a semiconducting material, it represents a specialized chemical space where heavy metal cations and chalcogen-halide frameworks intersect to dictate electronic behavior. The compound sits near the thermodynamic hull, indicating that it is likely synthesizable under controlled experimental conditions. Its structural complexity is evidenced by multiple reported configurations across materials databases, marking it as a subject of interest for fundamental solid-state research.
Key Properties
Cross-validated computational properties for Bi4I4O12Te4, 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 Bi4I4O12Te4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 2.36 | 0.0073 | -5.308 | 6.31 |
| P4/nmm (No. 129) | tetragonal | 0.00 | 0.1318 | -5.183 | 7.37 |
| P4/nmm (No. 129) | tetragonal | 0.00 | 1.0604 | -4.255 | 5.93 |
| — | — | — | — | — | 4.91 |
| — | — | — | — | — | 4.90 |
| — | — | — | — | — | 5.79 |
| P21/c (No. 14) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
Applications
Where Bi4I4O12Te4 is used.
Frequently Asked Questions
Common questions about Bi4I4O12Te4, answered from cross-validated data.
What is Bi4I4O12Te4?
Bi4I4O12Te4 is a semiconducting quaternary compound composed of bismuth, iodine, oxygen, and tellurium that is considered a promising candidate for experimental synthesis.
What is Bi4I4O12Te4 used for?
What is the band gap of Bi4I4O12Te4?
Is Bi4I4O12Te4 a metal, semiconductor, or insulator?
Is Bi4I4O12Te4 thermodynamically stable?
What is the crystal structure of Bi4I4O12Te4?
What is the density of Bi4I4O12Te4?
How many polymorphs of Bi4I4O12Te4 are known?
What elements does Bi4I4O12Te4 contain?
Where does the data for Bi4I4O12Te4 come from?
How It Compares
As a unique quaternary phase, Bi4I4O12Te4 occupies a distinct position in materials design, serving as an exploratory candidate for functional inorganic chemistry where the interplay of bismuth and tellurium often yields tunable electronic properties.
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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