BH4N
BH4N is a metastable wide-gap insulating nitride semiconductor used primarily in fundamental materials science research.
About BH4N
BH4N is a complex nitride semiconductor characterized by its wide-gap insulating electronic profile. Its structural arrangement highlights the diversity within boron-nitrogen-based materials, representing a metastable phase that offers intriguing pathways for advanced synthesis and material design.
As a member of the broader nitride semiconductor family, BH4N is of significant interest for researchers exploring non-traditional bonding environments. Its metastability suggests a unique energy landscape that distinguishes it from more conventional, highly stable nitride frameworks used in standard industrial applications.
Key Properties
Cross-validated computational properties for BH4N, 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 BH4N. 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 BH4N, 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. |
|---|---|---|---|---|---|
| Pbcm (No. 57) | orthorhombic | 5.95 | 0.0429 | -5.477 | 0.91 |
| Pmn21 (No. 31) | orthorhombic | 5.73 | 0.4502 | -5.070 | 0.43 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 2.22 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 2.07 |
| Pm (No. 6) | Monoclinic | — | — | — | 1.80 |
| No. 0 | unknown | — | — | — | 0.36 |
| No. 0 | unknown | — | — | — | 0.16 |
Applications
Where BH4N is used.
Frequently Asked Questions
Common questions about BH4N, answered from cross-validated data.
What is BH4N?
BH4N is a metastable wide-gap insulating nitride semiconductor used primarily in fundamental materials science research.
What is BH4N used for?
What is the band gap of BH4N?
Is BH4N a metal, semiconductor, or insulator?
Is BH4N thermodynamically stable?
What is the crystal structure of BH4N?
What is the density of BH4N?
How many polymorphs of BH4N are known?
What elements does BH4N contain?
Where does the data for BH4N come from?
How It Compares
Within the nitride semiconductors class.
Unlike the highly stable and technologically ubiquitous BN, which serves as a benchmark for wide-gap insulators, BH4N exists in a metastable state that makes it a distinct subject of study compared to established semiconductors like GaN, InN, or AlN.
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).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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