BH2N
BH2N is a wide-gap nitride semiconductor that is theoretically predicted to be stable enough for potential synthesis and material development.
About BH2N
BH2N is a wide-gap insulating material belonging to the nitride semiconductor class. Its electronic structure suggests potential utility in specialized optoelectronic or dielectric applications where wide-gap properties are prioritized.
As a near-hull compound, BH2N is considered a promising candidate for synthesis. Its existence within a family of well-characterized nitrides highlights its role as a subject of ongoing theoretical and experimental investigation for next-generation semiconductor technologies.
Key Properties
Cross-validated computational properties for BH2N, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of BH2N. 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 BH2N, 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. |
|---|---|---|---|---|---|
| P43212 (No. 96) | tetragonal | 5.34 | 0.0122 | -6.541 | 1.01 |
| P43212 (No. 96) | — | — | — | — | — |
| P43212 (No. 96) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.18 |
Applications
Where BH2N is used.
Frequently Asked Questions
Common questions about BH2N, answered from cross-validated data.
What is BH2N?
BH2N is a wide-gap nitride semiconductor that is theoretically predicted to be stable enough for potential synthesis and material development.
What is BH2N used for?
What is the band gap of BH2N?
Is BH2N a metal, semiconductor, or insulator?
Is BH2N thermodynamically stable?
What is the crystal structure of BH2N?
What is the density of BH2N?
How many polymorphs of BH2N are known?
What elements does BH2N contain?
Where does the data for BH2N come from?
How It Compares
Within the nitride semiconductors class.
While BH2N shares the nitride framework with established industry standards like GaN and AlN, it occupies a distinct structural space compared to the highly stable and ubiquitous BN. Unlike the binary nitrides GaN or InN, which are extensively utilized in power electronics and lighting, BH2N represents a more exploratory phase of nitride research, offering a unique stoichiometry that differentiates it from more common members like B2N2 or Ga36N36.
Related Compounds
Other Nitride Semiconductors in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- 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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