Li2NiSnO4
This material is a complex oxide containing lithium, nickel, and tin. It is primarily investigated as a potential electrode material for advanced energy storage systems due to its structural properties.
Overview
Key Properties
Cross-validated computational properties for Li2NiSnO4, 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.
1.56–2.45 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.
0.012 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.
12
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Li2NiSnO4, 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. |
|---|---|---|---|---|---|
| P2/m (No. 10) | monoclinic | 2.45 | 0.0123 | -6.136 | 5.25 |
| Imma (No. 74) | orthorhombic | 2.33 | 0.0124 | -6.136 | 5.22 |
| I-4m2 (No. 119) | tetragonal | 1.56 | 0.0135 | -6.135 | 5.32 |
| I-4m2 (No. 119) | Tetragonal | — | — | — | 5.32 |
| I-4m2 (No. 119) | Tetragonal | — | — | — | 5.50 |
| I-4m2 (No. 119) | Tetragonal | — | — | — | 5.62 |
| Imma (No. 74) | Orthorhombic | — | — | — | 5.22 |
| Imma (No. 74) | Orthorhombic | — | — | — | 5.55 |
| Imma (No. 74) | Orthorhombic | — | — | — | 5.40 |
| P2/m (No. 10) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Imma (No. 74) | — | — | — | — | — |
Uses
Applications
Where Li2NiSnO4 is used.
Lithium-ion battery researchElectrochemical energy storage development
Reference
Frequently Asked Questions
Common questions about Li2NiSnO4, answered from cross-validated data.
What is Li2NiSnO4?
This material is a complex oxide containing lithium, nickel, and tin. It is primarily investigated as a potential electrode material for advanced energy storage systems due to its structural properties.
More questions
What is Li2NiSnO4 used for?
Li2NiSnO4 is used in lithium-ion battery research and electrochemical energy storage development.
What is the band gap of Li2NiSnO4?
Li2NiSnO4 has a DFT-computed band gap of 1.56–2.45 eV across 12 reported structures.
Is Li2NiSnO4 a metal, semiconductor, or insulator?
With a band gap up to 2.45 eV it is a semiconductor.
Is Li2NiSnO4 thermodynamically stable?
Li2NiSnO4 has a lowest energy above hull of 0.012 eV/atom (near hull (likely stable)).
What is the crystal structure of Li2NiSnO4?
The lowest-energy reported polymorph of Li2NiSnO4 is monoclinic symmetry, space group P2/m (No. 10).
What is the density of Li2NiSnO4?
The computed density of the ground-state structure of Li2NiSnO4 is 5.25 g/cm³.
How many polymorphs of Li2NiSnO4 are known?
12 structures of Li2NiSnO4 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Li2NiSnO4 contain?
Li2NiSnO4 contains Li, Ni, O, and Sn (4 elements).
Where does the data for Li2NiSnO4 come from?
Li2NiSnO4 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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