BrN
BrN is an unstable, metallic compound composed of bromine and nitrogen that is frequently studied in computational structural databases.
About BrN
BrN is a binary compound consisting of bromine and nitrogen. It exhibits metallic electronic character, a notable feature for this combination of elements, and is categorized as a material that sits above the thermodynamic hull, suggesting it is inherently unstable under standard conditions. Despite its instability, the compound is of significant interest in computational materials science due to the high volume of structural data available. Researchers track its various configurations to better understand the bonding dynamics between halogens and pnictogens.
Key Properties
Cross-validated computational properties for BrN, aggregated across 4 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 BrN, 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. |
|---|---|---|---|---|---|
| P4/nmm (No. 129) | tetragonal | 0.00 | 1.8340 | -3.154 | 4.52 |
| Fm-3m (No. 225) | cubic | 0.00 | 2.0807 | -2.907 | 5.35 |
| Pm-3m (No. 221) | cubic | 0.00 | 2.6878 | -2.300 | 5.51 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.26 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.94 |
| Cc (No. 9) | Monoclinic | — | — | — | 7.62 |
| P1 (No. 1) | Triclinic | — | — | — | 2.99 |
| P1 (No. 1) | Triclinic | — | — | — | 4.38 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.58 |
| P1 (No. 1) | Triclinic | — | — | — | 3.10 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.31 |
| P1 (No. 1) | Triclinic | — | — | — | 6.34 |
Frequently Asked Questions
Common questions about BrN, answered from cross-validated data.
What is BrN?
BrN is an unstable, metallic compound composed of bromine and nitrogen that is frequently studied in computational structural databases.
What is the band gap of BrN?
Is BrN a metal, semiconductor, or insulator?
Is BrN thermodynamically stable?
What is the crystal structure of BrN?
What is the density of BrN?
How many polymorphs of BrN are known?
What elements does BrN contain?
Where does the data for BrN come from?
How It Compares
As a unique binary system, BrN serves as a primary subject for investigating the limits of stability in nitrogen-halogen frameworks. Unlike more common, stable nitrides, this compound provides a critical case study for exploring metastable phases that lack a clear, long-term equilibrium state.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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