Ba2N20Si14
Ba2N20Si14 is a thermodynamically stable, wide-gap insulating nitride semiconductor composed of barium, nitrogen, and silicon.
About Ba2N20Si14
Ba2N20Si14 is a complex nitride semiconductor characterized by its wide-gap insulating electronic profile. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement within the nitrogen-silicon-barium system. Its unique composition makes it a subject of interest for researchers investigating non-traditional semiconductor architectures.
This material is primarily studied for its potential roles in specialized electronic and optoelectronic applications where wide-gap stability is required. Its structural complexity, supported by multiple reported configurations, suggests a versatile framework for future material design and engineering in the semiconductor field.
Key Properties
Cross-validated computational properties for Ba2N20Si14, 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 Ba2N20Si14, 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. |
|---|---|---|---|---|---|
| Pc (No. 7) | monoclinic | 3.91 | 0.0000 | -8.191 | 3.68 |
| — | — | — | — | — | 3.66 |
| Pc (No. 7) | — | — | — | — | — |
Applications
Where Ba2N20Si14 is used.
Frequently Asked Questions
Common questions about Ba2N20Si14, answered from cross-validated data.
What is Ba2N20Si14?
Ba2N20Si14 is a thermodynamically stable, wide-gap insulating nitride semiconductor composed of barium, nitrogen, and silicon.
What is Ba2N20Si14 used for?
What is the band gap of Ba2N20Si14?
Is Ba2N20Si14 a metal, semiconductor, or insulator?
Is Ba2N20Si14 thermodynamically stable?
What is the crystal structure of Ba2N20Si14?
What is the density of Ba2N20Si14?
How many polymorphs of Ba2N20Si14 are known?
What elements does Ba2N20Si14 contain?
Where does the data for Ba2N20Si14 come from?
How It Compares
Within the nitride semiconductors class.
Unlike the prototypical binary nitrides such as GaN or AlN, which are widely utilized for their direct gap properties in optoelectronics, Ba2N20Si14 is a more complex ternary compound. While simple nitrides like BN are often explored for their thermal conductivity and mechanical strength, this barium-silicon-nitride offers a distinct structural complexity that differentiates it from the simpler, more common members of the nitride semiconductor 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).
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