Br6F6N6P6
Br6F6N6P6 is a wide-band-gap insulating compound composed of bromine, fluorine, nitrogen, and phosphorus that shows potential for laboratory synthesis.
About Br6F6N6P6
Br6F6N6P6 is a complex inorganic compound composed of bromine, fluorine, nitrogen, and phosphorus. As a wide-band-gap insulator, it exhibits distinct electronic properties that position it as an interesting candidate for specialized dielectric or structural applications.
Its thermodynamic stability places it near the hull, suggesting it is a viable target for experimental synthesis. The compound is characterized by a limited but distinct set of reported structural configurations, highlighting its potential for further investigation in the field of advanced materials.
Key Properties
Cross-validated computational properties for Br6F6N6P6, 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 Br6F6N6P6, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 4.25 | 0.0143 | -5.681 | 2.53 |
| Cmc21 (No. 36) | — | — | — | — | — |
| — | — | — | — | — | 1.91 |
Applications
Where Br6F6N6P6 is used.
Frequently Asked Questions
Common questions about Br6F6N6P6, answered from cross-validated data.
What is Br6F6N6P6?
Br6F6N6P6 is a wide-band-gap insulating compound composed of bromine, fluorine, nitrogen, and phosphorus that shows potential for laboratory synthesis.
What is Br6F6N6P6 used for?
What is the band gap of Br6F6N6P6?
Is Br6F6N6P6 a metal, semiconductor, or insulator?
Is Br6F6N6P6 thermodynamically stable?
What is the crystal structure of Br6F6N6P6?
What is the density of Br6F6N6P6?
How many polymorphs of Br6F6N6P6 are known?
What elements does Br6F6N6P6 contain?
Where does the data for Br6F6N6P6 come from?
How It Compares
As a unique inorganic structure, Br6F6N6P6 represents a specialized niche within its chemical family. While it currently stands as an individual entry without direct structural siblings in this context, its stability profile suggests it could serve as a foundational building block for future synthetic explorations of halogenated phosphorus-nitrogen frameworks.
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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