Li2N6Si4
Li2N6Si4 is a thermodynamically stable, wide-gap insulating nitride semiconductor composed of lithium, nitrogen, and silicon.
About Li2N6Si4
Li2N6Si4 is a complex nitride semiconductor characterized by its wide-gap insulating electronic profile. As a material that resides on the thermodynamic convex hull, it exhibits significant structural stability, making it a subject of interest for researchers investigating robust, non-metallic nitrides. Its unique composition of lithium, nitrogen, and silicon allows for a distinct crystalline arrangement that differentiates it from simpler binary nitrides. The material is currently documented across multiple structural databases, reflecting its status as an emerging candidate for specialized semiconductor research. Its stability suggests potential utility in environments where traditional semiconductors might fail, leveraging its insulating properties for high-performance electronic or optoelectronic components.
Key Properties
Cross-validated computational properties for Li2N6Si4, 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 Li2N6Si4, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 5.01 | 0.0000 | -7.620 | 3.01 |
| Cmc21 (No. 36) | — | — | — | — | — |
| Cmc21 (No. 36) | — | — | — | — | — |
| — | — | — | — | — | 2.75 |
Applications
Where Li2N6Si4 is used.
Frequently Asked Questions
Common questions about Li2N6Si4, answered from cross-validated data.
What is Li2N6Si4?
Li2N6Si4 is a thermodynamically stable, wide-gap insulating nitride semiconductor composed of lithium, nitrogen, and silicon.
What is Li2N6Si4 used for?
What is the band gap of Li2N6Si4?
Is Li2N6Si4 a metal, semiconductor, or insulator?
Is Li2N6Si4 thermodynamically stable?
What is the crystal structure of Li2N6Si4?
What is the density of Li2N6Si4?
How many polymorphs of Li2N6Si4 are known?
What elements does Li2N6Si4 contain?
Where does the data for Li2N6Si4 come from?
How It Compares
Within the nitride semiconductors class.
Unlike the well-known binary nitrides such as GaN, InN, or AlN, which are primarily utilized for their direct-gap optoelectronic capabilities, Li2N6Si4 functions as a wide-gap insulator. While compounds like BN are famous for their extreme thermal and mechanical properties, Li2N6Si4 offers a more complex ternary framework that expands the chemical space of the nitride semiconductor class beyond the standard III-V systems.
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).
- 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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