B13N2
B13N2 is a metallic boron-rich nitride phase known for its structural complexity and metastable nature.
About B13N2
B13N2 is an intriguing member of the nitride semiconductor class, characterized by its distinct metallic electronic behavior. Unlike many of its counterparts that function as wide-gap insulators or semiconductors, this phase exhibits electronic properties typical of conductive materials, making it a unique subject for fundamental studies in boron-rich nitrogen compounds.
Due to its position relative to the thermodynamic hull, B13N2 is considered a metastable phase. Its existence across multiple structural databases highlights the complexity of the boron-nitrogen phase space, where various configurations compete for stability under different synthesis conditions.
Key Properties
Cross-validated computational properties for B13N2, aggregated across 6 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 B13N2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for B13N2, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.00 | 0.1300 | -0.240 | — |
| — | — | 0.00 | 0.1334 | -0.233 | — |
| R-3m (No. 166) | trigonal | 0.00 | 0.1355 | -7.825 | 2.59 |
| R-3m (No. 166) | trigonal | 0.00 | — | -7.118 | 2.59 |
| R-3m (No. 166) | trigonal | 0.00 | — | -7.118 | 2.59 |
| R-3m (No. 166) | trigonal | — | — | — | 2.59 |
| R-3m (No. 166) | trigonal | — | — | — | 2.61 |
| R-3m (No. 166) | trigonal | — | — | — | 2.67 |
| R-3m (No. 166) | trigonal | — | — | — | 2.60 |
Applications
Where B13N2 is used.
Frequently Asked Questions
Common questions about B13N2, answered from cross-validated data.
What is B13N2?
B13N2 is a metallic boron-rich nitride phase known for its structural complexity and metastable nature.
What is B13N2 used for?
What is the band gap of B13N2?
Is B13N2 a metal, semiconductor, or insulator?
Is B13N2 thermodynamically stable?
What is the crystal structure of B13N2?
How many polymorphs of B13N2 are known?
What elements does B13N2 contain?
Where does the data for B13N2 come from?
How It Compares
Within the nitride semiconductors class.
While standard nitride semiconductors like BN, GaN, and AlN are well-known for their insulating or semiconducting nature, B13N2 stands out as a metallic anomaly within this class. It lacks the wide band gap characteristic of stable nitrides like GaN or InN, positioning it as a specialized material rather than a conventional optoelectronic semiconductor.
Related Compounds
Other Nitride Semiconductors in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- aflow — Data from AFLOW (aflow.org). Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
Analyze B13N2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →