Li4N4O4Si4
Li4N4O4Si4 is a thermodynamically stable, insulating quaternary compound composed of lithium, nitrogen, oxygen, and silicon.
About Li4N4O4Si4
Li4N4O4Si4 is a complex inorganic compound characterized by its insulating electronic nature and wide band gap. Its presence on the thermodynamic convex hull indicates high stability, making it a robust candidate for structural or electronic investigations.
As a multi-element system containing lithium, nitrogen, oxygen, and silicon, this material represents a specialized chemical space. Its stability and insulating properties suggest potential utility in advanced dielectric applications or as a stable host matrix for specialized dopants.
Key Properties
Cross-validated computational properties for Li4N4O4Si4, 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 Li4N4O4Si4, 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. |
|---|---|---|---|---|---|
| Pca21 (No. 29) | orthorhombic | 5.25 | 0.0000 | -7.276 | 2.77 |
| Pca21 (No. 29) | — | — | — | — | — |
| — | — | — | — | — | 2.67 |
| Pca21 (No. 29) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Li4N4O4Si4, answered from cross-validated data.
What is Li4N4O4Si4?
Li4N4O4Si4 is a thermodynamically stable, insulating quaternary compound composed of lithium, nitrogen, oxygen, and silicon.
What is the band gap of Li4N4O4Si4?
Is Li4N4O4Si4 a metal, semiconductor, or insulator?
Is Li4N4O4Si4 thermodynamically stable?
What is the crystal structure of Li4N4O4Si4?
What is the density of Li4N4O4Si4?
How many polymorphs of Li4N4O4Si4 are known?
What elements does Li4N4O4Si4 contain?
Where does the data for Li4N4O4Si4 come from?
How It Compares
As a distinct inorganic compound, Li4N4O4Si4 occupies a unique position within its chemical class. Unlike more common binary or ternary oxides, this quaternary system offers a highly stable framework that facilitates complex structural arrangements, distinguishing it from simpler materials that lack such thermodynamic resilience.
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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