Li5Si2NiO8
Li5Si2NiO8 is a metastable, semiconducting lithium-silicon-nickel oxide studied for its complex structural properties.
About Li5Si2NiO8
Li5Si2NiO8 is a complex lithium-based oxide characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique configuration within the lithium-silicon-nickel-oxygen chemical space, offering distinct structural properties that distinguish it from more common, highly stable oxides.
Its existence across multiple reported structures highlights its interest to researchers investigating novel lithium-ion-conducting materials or battery-related chemistries. The interplay between the lithium, silicon, and nickel sublattices suggests a complex coordination environment that is critical for understanding its potential utility in solid-state energy storage.
Key Properties
Cross-validated computational properties for Li5Si2NiO8, 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 Li5Si2NiO8, 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. |
|---|---|---|---|---|---|
| C2 (No. 5) | monoclinic | 1.13 | 0.0448 | -6.602 | 2.70 |
| C2 (No. 5) | — | — | — | — | — |
| C2 (No. 5) | Monoclinic | — | — | — | 2.70 |
| C2 (No. 5) | — | — | — | — | — |
| C2 (No. 5) | Monoclinic | — | — | — | 2.82 |
| C2 (No. 5) | Monoclinic | — | — | — | 2.76 |
Applications
Where Li5Si2NiO8 is used.
Frequently Asked Questions
Common questions about Li5Si2NiO8, answered from cross-validated data.
What is Li5Si2NiO8?
Li5Si2NiO8 is a metastable, semiconducting lithium-silicon-nickel oxide studied for its complex structural properties.
What is Li5Si2NiO8 used for?
What is the band gap of Li5Si2NiO8?
Is Li5Si2NiO8 a metal, semiconductor, or insulator?
Is Li5Si2NiO8 thermodynamically stable?
What is the crystal structure of Li5Si2NiO8?
What is the density of Li5Si2NiO8?
How many polymorphs of Li5Si2NiO8 are known?
What elements does Li5Si2NiO8 contain?
Where does the data for Li5Si2NiO8 come from?
How It Compares
As a metastable compound, Li5Si2NiO8 occupies a specialized niche in materials science where thermodynamic stability is balanced against unique electronic behavior. Unlike highly stable, naturally occurring minerals, this compound represents a synthetic target that requires precise control over processing conditions to stabilize its semiconducting structure for experimental study.
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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