BAsH4NO4F

BAsH4NO4F is a metastable, wide-band-gap insulating compound composed of boron, arsenic, nitrogen, oxygen, and fluorine.

AsBFHNO
Crystal structure of BAsH4NO4F
Ground-state structure · Materials Project
Overview

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.

At a glance

Key Properties

Cross-validated computational properties for BAsH4NO4F, aggregated across 3 databases.

Band Gap

4.37 eV
Range across DFT structures

Energy Above Hull

0.046 eV/atom
Best (lowest) across sources

Stability

Metastable
1 DFT source

Structures

4
3 databases, 2 space groups
Uses

Applications

Where BAsH4NO4F is used.

Fundamental materials researchSolid-state chemistry studies
Reference

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.

More questions
What is BAsH4NO4F used for?
BAsH4NO4F is used in fundamental materials research and solid-state chemistry studies.
What is the band gap of BAsH4NO4F?
BAsH4NO4F has a DFT-computed band gap of 4.37 eV across 4 reported structures.
Is BAsH4NO4F a metal, semiconductor, or insulator?
With a wide band gap up to 4.37 eV it is an insulator / wide-band-gap material.
Is BAsH4NO4F thermodynamically stable?
BAsH4NO4F has a lowest energy above hull of 0.046 eV/atom (metastable).
How many polymorphs of BAsH4NO4F are known?
4 structures of BAsH4NO4F are reported across 3 databases, spanning 2 distinct space groups.
What elements does BAsH4NO4F contain?
BAsH4NO4F contains As, B, F, H, N, and O (6 elements).
Where does the data for BAsH4NO4F come from?
BAsH4NO4F data is cross-referenced from latticegraph.
Comparison

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
  • latticegraph — Lattice Graph Materials Intelligence Platform

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