Li2Ni3SnO8
This compound is a complex oxide containing lithium, nickel, tin, and oxygen. It is primarily studied as a potential cathode material for advanced energy storage systems due to its specific crystalline structure.
Overview
Key Properties
Cross-validated computational properties for Li2Ni3SnO8, 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.
0.04–0.54 eV
Range across DFT structures
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.
0.018 eV/atom
Best (lowest) across sources
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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
27
3 databases, 6 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Li2Ni3SnO8, 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. |
|---|---|---|---|---|---|
| P43212 (No. 96) | tetragonal | 0.54 | 0.0182 | -6.095 | 5.03 |
| C2/c (No. 15) | monoclinic | 0.48 | 0.0227 | -6.090 | 4.94 |
| C2/m (No. 12) | monoclinic | 0.54 | 0.0243 | -6.089 | 4.88 |
| P-1 (No. 2) | triclinic | 0.04 | 0.0249 | -6.088 | 4.93 |
| P-1 (No. 2) | triclinic | 0.04 | 0.0251 | -6.088 | 4.94 |
| P63mc (No. 186) | hexagonal | 0.00 | 0.0334 | -6.080 | 5.14 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0396 | -6.073 | 4.97 |
| P63mc (No. 186) | Hexagonal | — | — | — | 5.34 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.93 |
| C2/c (No. 15) | Monoclinic | — | — | — | 5.10 |
| R-3m (No. 166) | Trigonal | — | — | — | 5.14 |
| R-3m (No. 166) | Trigonal | — | — | — | 5.28 |
Uses
Applications
Where Li2Ni3SnO8 is used.
Lithium-ion battery researchElectrochemical energy storage development
Reference
Frequently Asked Questions
Common questions about Li2Ni3SnO8, answered from cross-validated data.
What is Li2Ni3SnO8?
This compound is a complex oxide containing lithium, nickel, tin, and oxygen. It is primarily studied as a potential cathode material for advanced energy storage systems due to its specific crystalline structure.
More questions
What is Li2Ni3SnO8 used for?
Li2Ni3SnO8 is used in lithium-ion battery research and electrochemical energy storage development.
What is the band gap of Li2Ni3SnO8?
Li2Ni3SnO8 has a DFT-computed band gap of 0.04–0.54 eV across 27 reported structures.
Is Li2Ni3SnO8 a metal, semiconductor, or insulator?
With a band gap up to 0.54 eV it is a semiconductor.
Is Li2Ni3SnO8 thermodynamically stable?
Li2Ni3SnO8 has a lowest energy above hull of 0.018 eV/atom (near hull (likely stable)).
What is the crystal structure of Li2Ni3SnO8?
The lowest-energy reported polymorph of Li2Ni3SnO8 is tetragonal symmetry, space group P43212 (No. 96).
What is the density of Li2Ni3SnO8?
The computed density of the ground-state structure of Li2Ni3SnO8 is 5.03 g/cm³.
How many polymorphs of Li2Ni3SnO8 are known?
27 structures of Li2Ni3SnO8 are reported across 3 databases, spanning 6 distinct space groups.
What elements does Li2Ni3SnO8 contain?
Li2Ni3SnO8 contains Li, Ni, O, and Sn (4 elements).
Where does the data for Li2Ni3SnO8 come from?
Li2Ni3SnO8 data is cross-referenced from materials_project, mpaloe, jarvis.
Explore
Related Compounds
Other Layered Lithium Transition-Metal Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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