BrN4
BrN4 is a semiconducting, nitrogen-rich inorganic compound that exists as a metastable phase with a high degree of structural diversity.
About BrN4
BrN4 is a nitrogen-rich inorganic compound characterized by its semiconducting electronic behavior. Its structural landscape is notably diverse, with a significant number of reported configurations documented across materials databases. This complexity highlights the intricate bonding environments possible between bromine and nitrogen atoms. Being positioned above the thermodynamic hull, BrN4 is considered a metastable phase. Its existence is of particular interest to researchers investigating high-energy density materials and the fundamental limits of nitrogen-rich chemical bonding. The compound serves as a subject for studying the stabilization of nitrogen networks in the presence of halogen species.
Key Properties
Cross-validated computational properties for BrN4, aggregated across 2 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of BrN4. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for BrN4, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for BrN4, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 0.26 | 0.7774 | -6.221 | 2.81 |
| P1 (No. 1) | triclinic | — | — | — | 3.25 |
| P1 (No. 1) | triclinic | — | — | — | 3.19 |
| P1 (No. 1) | triclinic | — | — | — | 3.45 |
| P1 (No. 1) | triclinic | — | — | — | 2.72 |
| P1 (No. 1) | triclinic | — | — | — | 3.56 |
| P1 (No. 1) | triclinic | — | — | — | 2.34 |
| P1 (No. 1) | triclinic | — | — | — | 3.59 |
| P-1 (No. 2) | triclinic | — | — | — | 4.60 |
| P-1 (No. 2) | triclinic | — | — | — | 5.44 |
| P-1 (No. 2) | triclinic | — | — | — | 3.63 |
| Pm (No. 6) | monoclinic | — | — | — | 4.33 |
Applications
Where BrN4 is used.
Frequently Asked Questions
Common questions about BrN4, answered from cross-validated data.
What is BrN4?
BrN4 is a semiconducting, nitrogen-rich inorganic compound that exists as a metastable phase with a high degree of structural diversity.
What is BrN4 used for?
What is the band gap of BrN4?
Is BrN4 a metal, semiconductor, or insulator?
Is BrN4 thermodynamically stable?
What is the crystal structure of BrN4?
What is the density of BrN4?
How many polymorphs of BrN4 are known?
What elements does BrN4 contain?
Where does the data for BrN4 come from?
How It Compares
As a unique nitrogen-rich bromide, BrN4 occupies a specialized niche in materials science. Unlike more conventional binary compounds, its structural diversity and metastable nature make it a compelling case study for understanding the challenges of synthesizing and stabilizing nitrogen-heavy frameworks in solid-state chemistry.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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