B14Fe6I2O26
B14Fe6I2O26 is a thermodynamically stable, insulating inorganic compound composed of boron, iron, iodine, and oxygen.
About B14Fe6I2O26
B14Fe6I2O26 is a complex inorganic compound characterized by its insulating electronic nature and high thermodynamic stability. As a material situated on the convex hull, it represents a robust structural arrangement of boron, iron, iodine, and oxygen atoms. Its unique composition suggests potential utility in specialized chemical or electronic applications where stable, wide-gap materials are required. The existence of multiple reported structures highlights its structural versatility and interest within the broader research community. Further investigation into its atomic configuration may reveal specific functional properties suitable for advanced technological integration.
Key Properties
Cross-validated computational properties for B14Fe6I2O26, 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 B14Fe6I2O26, 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. |
|---|---|---|---|---|---|
| R3c (No. 161) | trigonal | 3.00 | 0.0000 | -8.211 | 4.19 |
| F-43c (No. 219) | cubic | 2.90 | 0.0189 | -8.192 | 4.09 |
| R3c (No. 161) | trigonal | 3.40 | 0.1381 | -8.073 | 3.93 |
| Pca21 (No. 29) | orthorhombic | 3.27 | 0.4245 | -7.786 | 4.04 |
| F-43c (No. 219) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.05 |
Applications
Where B14Fe6I2O26 is used.
Frequently Asked Questions
Common questions about B14Fe6I2O26, answered from cross-validated data.
What is B14Fe6I2O26?
B14Fe6I2O26 is a thermodynamically stable, insulating inorganic compound composed of boron, iron, iodine, and oxygen.
What is B14Fe6I2O26 used for?
What is the band gap of B14Fe6I2O26?
Is B14Fe6I2O26 a metal, semiconductor, or insulator?
Is B14Fe6I2O26 thermodynamically stable?
What is the crystal structure of B14Fe6I2O26?
What is the density of B14Fe6I2O26?
How many polymorphs of B14Fe6I2O26 are known?
What elements does B14Fe6I2O26 contain?
Where does the data for B14Fe6I2O26 come from?
How It Compares
As a unique inorganic compound, B14Fe6I2O26 occupies a distinct niche in materials science. While it currently stands as a singular entity in this context, its thermodynamic stability and insulating character position it as a foundational reference point for future studies into complex borate-iodide-oxide systems.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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