B14Cl2O26Zn6
B14Cl2O26Zn6 is a thermodynamically stable, insulating inorganic compound composed of boron, chlorine, oxygen, and zinc.
About B14Cl2O26Zn6
B14Cl2O26Zn6 is a complex inorganic compound characterized by its insulating electronic nature and high thermodynamic stability. As a material residing on the convex hull, it represents a robust structural arrangement that maintains integrity under standard conditions.
This compound is of significant interest to researchers studying boron-zinc-oxygen frameworks. Its unique stoichiometry and stability profile make it a candidate for specialized applications where stable, wide-gap dielectric materials are required.
Key Properties
Cross-validated computational properties for B14Cl2O26Zn6, 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 B14Cl2O26Zn6, 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 | 4.58 | 0.0009 | -7.428 | 3.74 |
| R3c (No. 161) | — | — | — | — | — |
| — | — | — | — | — | 3.74 |
| R3c (No. 161) | — | — | — | — | — |
| — | — | — | — | — | 3.74 |
Applications
Where B14Cl2O26Zn6 is used.
Frequently Asked Questions
Common questions about B14Cl2O26Zn6, answered from cross-validated data.
What is B14Cl2O26Zn6?
B14Cl2O26Zn6 is a thermodynamically stable, insulating inorganic compound composed of boron, chlorine, oxygen, and zinc.
What is B14Cl2O26Zn6 used for?
What is the band gap of B14Cl2O26Zn6?
Is B14Cl2O26Zn6 a metal, semiconductor, or insulator?
Is B14Cl2O26Zn6 thermodynamically stable?
What is the crystal structure of B14Cl2O26Zn6?
What is the density of B14Cl2O26Zn6?
How many polymorphs of B14Cl2O26Zn6 are known?
What elements does B14Cl2O26Zn6 contain?
Where does the data for B14Cl2O26Zn6 come from?
How It Compares
As a distinct inorganic compound, B14Cl2O26Zn6 stands as a unique structural entity within the broader landscape of borate-based materials. While it lacks direct structural siblings in this specific classification, its presence on the convex hull highlights its role as a highly stable reference point for future synthetic and computational explorations of complex zinc-borate 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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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