BAsH4NO4F
BAsH4NO4F is a metastable, wide-band-gap insulating compound composed of boron, arsenic, nitrogen, oxygen, and fluorine.
About BAsH4NO4F
BAsH4NO4F is a complex inorganic compound characterized by its insulating electronic nature and wide band gap. As a metastable material, it represents a unique structural configuration that offers intriguing possibilities for specialized chemical synthesis and solid-state investigations. Its composition, involving boron, arsenic, and fluorine, places it in a niche category of multi-element compounds that require precise conditions for formation and stability. The study of this material is essential for understanding the limits of structural metastability in complex polyatomic systems. While it remains a specialized subject of research, its electronic properties make it a candidate for fundamental studies in insulating behavior and structural chemistry. Its existence within a limited number of reported structures highlights its role as a rare, highly specific material within the broader landscape of inorganic chemistry.
Key Properties
Cross-validated computational properties for BAsH4NO4F, 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 BAsH4NO4F, 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. |
|---|---|---|---|---|---|
| Cc (No. 9) | monoclinic | 4.37 | 0.0464 | -6.192 | 2.60 |
| Cc (No. 9) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.67 |
| No. 0 | unknown | — | — | — | 0.67 |
Applications
Where BAsH4NO4F is used.
Frequently Asked Questions
Common questions about BAsH4NO4F, answered from cross-validated data.
What is BAsH4NO4F?
BAsH4NO4F is a metastable, wide-band-gap insulating compound composed of boron, arsenic, nitrogen, oxygen, and fluorine.
What is BAsH4NO4F used for?
What is the band gap of BAsH4NO4F?
Is BAsH4NO4F a metal, semiconductor, or insulator?
Is BAsH4NO4F thermodynamically stable?
What is the crystal structure of BAsH4NO4F?
What is the density of BAsH4NO4F?
How many polymorphs of BAsH4NO4F are known?
What elements does BAsH4NO4F contain?
Where does the data for BAsH4NO4F come from?
How It Compares
As a unique, unclassified inorganic compound, BAsH4NO4F stands as a distinct entity in materials science. Without direct structural siblings, it serves as an independent reference point for exploring the interplay between arsenic-based frameworks and boron-fluorine coordination in metastable insulating solids.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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