Li4Si2NiO7
Li4Si2NiO7 is a stable, insulating quaternary oxide composed of lithium, silicon, nickel, and oxygen.
About Li4Si2NiO7
Li4Si2NiO7 is a complex quaternary oxide characterized by its wide-gap insulating electronic profile. Its composition, incorporating lithium, silicon, nickel, and oxygen, positions it as a structurally intriguing candidate for solid-state chemistry investigations.
Due to its near-hull thermodynamic stability, this compound is considered a promising target for experimental synthesis. The presence of multiple reported structural variations suggests a flexible coordination environment that may be leveraged in future material design applications.
Key Properties
Cross-validated computational properties for Li4Si2NiO7, 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 Li4Si2NiO7, 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. |
|---|---|---|---|---|---|
| Cc (No. 9) | monoclinic | 3.73 | 0.0214 | -6.831 | 2.92 |
| P1 (No. 1) | triclinic | 3.41 | 0.0316 | -6.821 | 2.92 |
| C2 (No. 5) | monoclinic | 2.32 | 0.0321 | -6.820 | 2.92 |
| P1 (No. 1) | triclinic | 3.67 | 0.0322 | -6.820 | 2.92 |
| C2 (No. 5) | monoclinic | 3.57 | 0.0327 | -6.820 | 2.92 |
| P1 (No. 1) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 3.08 |
| P1 (No. 1) | Triclinic | — | — | — | 2.92 |
| P1 (No. 1) | Triclinic | — | — | — | 3.00 |
| Cc (No. 9) | Monoclinic | — | — | — | 2.92 |
| Cc (No. 9) | Monoclinic | — | — | — | 2.99 |
| Cc (No. 9) | Monoclinic | — | — | — | 3.06 |
Applications
Where Li4Si2NiO7 is used.
Frequently Asked Questions
Common questions about Li4Si2NiO7, answered from cross-validated data.
What is Li4Si2NiO7?
Li4Si2NiO7 is a stable, insulating quaternary oxide composed of lithium, silicon, nickel, and oxygen.
What is Li4Si2NiO7 used for?
What is the band gap of Li4Si2NiO7?
Is Li4Si2NiO7 a metal, semiconductor, or insulator?
Is Li4Si2NiO7 thermodynamically stable?
What is the crystal structure of Li4Si2NiO7?
What is the density of Li4Si2NiO7?
How many polymorphs of Li4Si2NiO7 are known?
What elements does Li4Si2NiO7 contain?
Where does the data for Li4Si2NiO7 come from?
How It Compares
As a unique quaternary oxide, Li4Si2NiO7 occupies a specialized niche within the landscape of lithium-based insulators, serving as a distinct example of how silicon and nickel can be integrated into a stable oxygen-rich framework.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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