BH8N
BH8N is a metastable, wide-gap insulating nitride semiconductor used primarily in fundamental materials science research.
About BH8N
BH8N is a complex nitride semiconductor characterized by its wide-gap insulating electronic profile. As a metastable phase, it represents a unique structural configuration within the boron-nitrogen-hydrogen system, offering researchers a distinct platform for studying chemical bonding in non-equilibrium states.
This material is of significant interest in fundamental materials science due to its structural diversity, with multiple reported configurations across major databases. Its specific electronic nature makes it a subject of exploration for specialized applications where insulating behavior and high-energy structural stability are required.
Key Properties
Cross-validated computational properties for BH8N, aggregated across 3 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 BH8N. 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 BH8N, 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. |
|---|---|---|---|---|---|
| Pma2 (No. 28) | orthorhombic | 5.62 | 0.0745 | -4.620 | 0.75 |
| Pma2 (No. 28) | orthorhombic | 5.59 | 0.1099 | -0.169 | — |
| Pma2 (No. 28) | orthorhombic | — | — | — | 0.75 |
| Pma2 (No. 28) | orthorhombic | — | — | — | 0.76 |
| Pma2 (No. 28) | orthorhombic | — | — | — | 0.75 |
Applications
Where BH8N is used.
Frequently Asked Questions
Common questions about BH8N, answered from cross-validated data.
What is BH8N?
BH8N is a metastable, wide-gap insulating nitride semiconductor used primarily in fundamental materials science research.
What is BH8N used for?
What is the band gap of BH8N?
Is BH8N a metal, semiconductor, or insulator?
Is BH8N thermodynamically stable?
What is the crystal structure of BH8N?
What is the density of BH8N?
How many polymorphs of BH8N are known?
What elements does BH8N contain?
Where does the data for BH8N come from?
How It Compares
Within the nitride semiconductors class.
While widely studied nitrides like BN, GaN, and AlN are typically recognized for their robust stability and established roles in optoelectronics, BH8N stands apart as a metastable member of the class. Unlike the highly crystalline and stable GaN or InN, BH8N exhibits a more complex, less conventional structural landscape, positioning it as a niche research material compared to the industry-standard binary nitrides.
Related Compounds
Other Nitride Semiconductors in the database.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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