Ba4N8Si4
Ba4N8Si4 is a thermodynamically stable quaternary nitride semiconductor composed of barium, nitrogen, and silicon.
About Ba4N8Si4
Ba4N8Si4 is a complex nitride semiconductor characterized by its thermodynamic stability on the convex hull. This material represents a unique intersection of alkaline earth metal, nitrogen, and silicon chemistry, offering a distinct electronic profile suitable for specialized semiconductor research.
As a member of the broader nitride family, this compound is of significant interest for its structural robustness. Its existence within multiple databases highlights its importance as a subject for computational and experimental study in the development of novel functional materials.
Key Properties
Cross-validated computational properties for Ba4N8Si4, 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.
Reported Structures
Lowest-energy structures reported for Ba4N8Si4, 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. |
|---|---|---|---|---|---|
| Cmce (No. 64) | orthorhombic | 2.92 | 0.0000 | -7.311 | 5.21 |
| — | — | — | — | — | 4.77 |
| Cmce (No. 64) | — | — | — | — | — |
| Cmce (No. 64) | — | — | — | — | — |
| Cmce (No. 64) | — | — | — | — | — |
| Cmce (No. 64) | orthorhombic | — | — | — | 0.67 |
Applications
Where Ba4N8Si4 is used.
Frequently Asked Questions
Common questions about Ba4N8Si4, answered from cross-validated data.
What is Ba4N8Si4?
Ba4N8Si4 is a thermodynamically stable quaternary nitride semiconductor composed of barium, nitrogen, and silicon.
What is Ba4N8Si4 used for?
What is the band gap of Ba4N8Si4?
Is Ba4N8Si4 a metal, semiconductor, or insulator?
Is Ba4N8Si4 thermodynamically stable?
What is the crystal structure of Ba4N8Si4?
What is the density of Ba4N8Si4?
How many polymorphs of Ba4N8Si4 are known?
What elements does Ba4N8Si4 contain?
Where does the data for Ba4N8Si4 come from?
How It Compares
Within the nitride semiconductors class.
Unlike the more widely known binary nitride semiconductors such as GaN or AlN, which are primarily recognized for their optoelectronic capabilities, Ba4N8Si4 features a more intricate quaternary framework. While materials like GaN and InN are standard benchmarks for high-frequency electronics, Ba4N8Si4 provides a chemically diverse alternative that expands the structural landscape of the nitride class.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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