BeSiN2
BeSiN2 is a thermodynamically stable, wide-band-gap nitride semiconductor used in materials science research.
About BeSiN2
BeSiN2 is a wide-band-gap nitride semiconductor that occupies a stable position on the thermodynamic convex hull. Its unique composition of beryllium, silicon, and nitrogen enables a robust electronic structure suitable for specialized insulating and semiconductor applications.
As a material of significant interest, BeSiN2 has been characterized across multiple structural configurations. Its stability and electronic properties make it a compelling candidate for research into next-generation high-performance electronic materials.
Key Properties
Cross-validated computational properties for BeSiN2, 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.
Reported Structures
Lowest-energy structures reported for BeSiN2, 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. |
|---|---|---|---|---|---|
| Pna21 (No. 33) | orthorhombic | 5.15 | 0.0000 | -7.861 | 3.23 |
| I-42d (No. 122) | tetragonal | 3.56 | 0.0018 | -7.859 | 3.24 |
| P3m1 (No. 156) | trigonal | 2.87 | 0.1662 | -7.695 | 3.16 |
| I-42d (No. 122) | — | — | — | — | — |
| P3m1 (No. 156) | — | — | — | — | — |
| R-3m (No. 166) | Trigonal | — | — | — | 3.66 |
| R3m (No. 160) | Trigonal | — | — | — | 3.13 |
| R3m (No. 160) | Trigonal | — | — | — | 2.73 |
Applications
Where BeSiN2 is used.
Frequently Asked Questions
Common questions about BeSiN2, answered from cross-validated data.
What is BeSiN2?
BeSiN2 is a thermodynamically stable, wide-band-gap nitride semiconductor used in materials science research.
What is BeSiN2 used for?
What is the band gap of BeSiN2?
Is BeSiN2 a metal, semiconductor, or insulator?
Is BeSiN2 thermodynamically stable?
What is the crystal structure of BeSiN2?
What is the density of BeSiN2?
How many polymorphs of BeSiN2 are known?
What elements does BeSiN2 contain?
Where does the data for BeSiN2 come from?
How It Compares
Within the nitride semiconductors class.
Within the family of nitride semiconductors, BeSiN2 serves as a complex ternary alternative to binary systems like GaN or AlN. While binary nitrides are widely utilized for their established optoelectronic performance, BeSiN2 offers a distinct structural framework that expands the chemical space available for designing wide-gap materials.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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