Bi10I2O14
Bi10I2O14 is a semiconducting bismuth oxyiodide compound that is theoretically predicted to be stable enough for laboratory synthesis.
About Bi10I2O14
Bi10I2O14 is a complex bismuth-based oxyiodide that exhibits semiconducting electronic properties. Its structural arrangement reflects the intricate coordination chemistry often found in bismuth-rich chalcogenide-oxide systems, making it a subject of interest for fundamental materials research.
As a material positioned near the thermodynamic hull, this compound is considered a viable candidate for experimental synthesis. Its existence across multiple structural databases highlights its significance in the exploration of new functional inorganic phases.
Key Properties
Cross-validated computational properties for Bi10I2O14, 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 Bi10I2O14, 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. |
|---|---|---|---|---|---|
| Ibca (No. 73) | orthorhombic | 2.77 | 0.0024 | -5.855 | 8.42 |
| C2/m (No. 12) | monoclinic | 2.43 | 0.0030 | -5.854 | 8.55 |
| — | — | — | — | — | 6.94 |
| — | — | — | — | — | 5.79 |
| — | — | — | — | — | 6.91 |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Bi10I2O14 is used.
Frequently Asked Questions
Common questions about Bi10I2O14, answered from cross-validated data.
What is Bi10I2O14?
Bi10I2O14 is a semiconducting bismuth oxyiodide compound that is theoretically predicted to be stable enough for laboratory synthesis.
What is Bi10I2O14 used for?
What is the band gap of Bi10I2O14?
Is Bi10I2O14 a metal, semiconductor, or insulator?
Is Bi10I2O14 thermodynamically stable?
What is the crystal structure of Bi10I2O14?
What is the density of Bi10I2O14?
How many polymorphs of Bi10I2O14 are known?
What elements does Bi10I2O14 contain?
Where does the data for Bi10I2O14 come from?
How It Compares
As a unique bismuth oxyiodide, Bi10I2O14 serves as a representative example of the structural diversity possible within the bismuth-oxygen-iodine ternary system, providing a distinct chemical environment compared to simpler binary bismuth oxides or halides.
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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