Ba2N14Si8Y2
Ba2N14Si8Y2 is a stable, semiconducting quaternary nitride compound composed of barium, silicon, yttrium, and nitrogen.
About Ba2N14Si8Y2
Ba2N14Si8Y2 is a complex quaternary nitride compound that exhibits semiconducting electronic properties. Its position on the thermodynamic convex hull indicates that it is a stable phase, making it a subject of interest for structural and electronic characterization in advanced materials science.
As a multi-element nitride, this material represents a specialized class of compounds where the interplay between barium, silicon, yttrium, and nitrogen dictates its physical behavior. It is primarily utilized in fundamental research aimed at understanding the synthesis and stability of complex nitride frameworks.
Key Properties
Cross-validated computational properties for Ba2N14Si8Y2, 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 Ba2N14Si8Y2, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 2.73 | 0.0000 | -8.244 | 4.52 |
| P63mc (No. 186) | — | — | — | — | — |
| — | — | — | — | — | 4.52 |
| — | — | — | — | — | 3.62 |
Applications
Where Ba2N14Si8Y2 is used.
Frequently Asked Questions
Common questions about Ba2N14Si8Y2, answered from cross-validated data.
What is Ba2N14Si8Y2?
Ba2N14Si8Y2 is a stable, semiconducting quaternary nitride compound composed of barium, silicon, yttrium, and nitrogen.
What is Ba2N14Si8Y2 used for?
What is the band gap of Ba2N14Si8Y2?
Is Ba2N14Si8Y2 a metal, semiconductor, or insulator?
Is Ba2N14Si8Y2 thermodynamically stable?
What is the crystal structure of Ba2N14Si8Y2?
What is the density of Ba2N14Si8Y2?
How many polymorphs of Ba2N14Si8Y2 are known?
What elements does Ba2N14Si8Y2 contain?
Where does the data for Ba2N14Si8Y2 come from?
How It Compares
As a unique quaternary nitride, Ba2N14Si8Y2 occupies a distinct niche in materials research, serving as a representative example of how complex elemental combinations can achieve thermodynamic stability within the nitride family.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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