N8Si6
N8Si6 is a thermodynamically stable, insulating silicon-nitrogen compound studied for its potential roles in advanced battery anode architectures.
About N8Si6
N8Si6 is a distinct inorganic compound composed of silicon and nitrogen, characterized by its wide-band-gap insulating nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement within the silicon-based material family.
This material is of significant interest in the development of advanced silicon anode materials. Its electronic structure and inherent stability make it a subject of ongoing investigation for potential applications in high-performance battery technologies where structural integrity and insulating properties are critical.
Key Properties
Cross-validated computational properties for N8Si6, 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 N8Si6, 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. |
|---|---|---|---|---|---|
| P63/m (No. 176) | hexagonal | 4.25 | 0.0000 | -10.298 | 3.20 |
| P31c (No. 159) | trigonal | 4.65 | 0.0035 | -10.294 | 3.19 |
| I-43d (No. 220) | cubic | 4.03 | 0.0995 | -10.198 | 3.41 |
| Fd-3m (No. 227) | cubic | 3.33 | 0.1471 | -10.150 | 3.95 |
| Pnma (No. 62) | orthorhombic | 3.91 | 0.2877 | -10.010 | 3.83 |
| P1 (No. 1) | triclinic | 1.49 | 0.3644 | -9.933 | 2.99 |
| P1 (No. 1) | triclinic | 1.99 | 0.3866 | -9.911 | 3.00 |
| P63/mmc (No. 194) | hexagonal | 1.82 | 0.4951 | -9.802 | 3.51 |
| P1 (No. 1) | triclinic | 0.68 | 0.5864 | -9.711 | 2.91 |
| P1 (No. 1) | triclinic | 0.18 | 0.6257 | -9.672 | 2.88 |
| P63/m (No. 176) | hexagonal | 2.53 | 0.6349 | -9.663 | 1.27 |
| P1 (No. 1) | triclinic | 0.91 | 0.6416 | -9.656 | 2.85 |
Applications
Where N8Si6 is used.
Frequently Asked Questions
Common questions about N8Si6, answered from cross-validated data.
What is N8Si6?
N8Si6 is a thermodynamically stable, insulating silicon-nitrogen compound studied for its potential roles in advanced battery anode architectures.
What is N8Si6 used for?
What is the band gap of N8Si6?
Is N8Si6 a metal, semiconductor, or insulator?
Is N8Si6 thermodynamically stable?
What is the crystal structure of N8Si6?
What is the density of N8Si6?
How many polymorphs of N8Si6 are known?
What elements does N8Si6 contain?
Where does the data for N8Si6 come from?
How It Compares
Within the silicon anode materials class.
Within the diverse landscape of silicon-based materials, N8Si6 stands out for its insulating electronic character, contrasting sharply with the metallic or semiconducting nature of siblings like FeSi, MoSi2, and elemental Si. While many class members such as NaSi or Mg2Si are investigated primarily for their electrochemical reactivity, N8Si6 offers a unique, highly stable framework that provides a different structural paradigm for anode design.
Related Compounds
Other Silicon Anode Materials in the database.
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).
Analyze N8Si6 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →