LiNiSnO4
LiNiSnO4 is a semiconducting layered lithium transition-metal oxide that is considered a promising candidate for experimental synthesis in materials science.
About LiNiSnO4
LiNiSnO4 belongs to the class of layered lithium transition-metal oxides, exhibiting semiconducting electronic behavior. Its structural characteristics and near-hull thermodynamic stability suggest it is a viable candidate for experimental synthesis and further investigation in energy storage materials science.
As a material with multiple reported structures across major databases, it serves as an important subject for understanding the impact of tin substitution in lithium-based oxide frameworks. Its role is primarily centered on exploring how transition metal arrangements influence the electrochemical performance of layered oxide systems.
Key Properties
Cross-validated computational properties for LiNiSnO4, 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 LiNiSnO4, 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. |
|---|---|---|---|---|---|
| Imma (No. 74) | orthorhombic | 0.36 | 0.0069 | -6.251 | 5.18 |
| P2/m (No. 10) | monoclinic | 0.30 | 0.0688 | -6.189 | 5.13 |
| Imma (No. 74) | orthorhombic | 0.40 | 0.0706 | -6.187 | 5.19 |
| C2/m (No. 12) | — | — | — | — | — |
| Imma (No. 74) | Orthorhombic | — | — | — | 5.18 |
| C2/c (No. 15) | — | — | — | — | — |
| Imma (No. 74) | Orthorhombic | — | — | — | 5.50 |
| P2/m (No. 10) | Monoclinic | — | — | — | 5.13 |
| Imma (No. 74) | — | — | — | — | — |
| P2/m (No. 10) | Monoclinic | — | — | — | 5.57 |
| Imma (No. 74) | Orthorhombic | — | — | — | 5.33 |
| P2/m (No. 10) | Monoclinic | — | — | — | 5.34 |
Applications
Where LiNiSnO4 is used.
Frequently Asked Questions
Common questions about LiNiSnO4, answered from cross-validated data.
What is LiNiSnO4?
LiNiSnO4 is a semiconducting layered lithium transition-metal oxide that is considered a promising candidate for experimental synthesis in materials science.
What is LiNiSnO4 used for?
What is the band gap of LiNiSnO4?
Is LiNiSnO4 a metal, semiconductor, or insulator?
Is LiNiSnO4 thermodynamically stable?
What is the crystal structure of LiNiSnO4?
What is the density of LiNiSnO4?
How many polymorphs of LiNiSnO4 are known?
What elements does LiNiSnO4 contain?
Where does the data for LiNiSnO4 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the broader family of layered lithium transition-metal oxides, LiNiSnO4 represents a specialized derivative compared to the highly established cathode materials like LiNiO2 or LiCoO2. While those siblings are industry standards for battery technology, LiNiSnO4 offers a distinct structural profile by incorporating tin, which alters the electronic landscape compared to the more conventional manganese- or cobalt-based oxides.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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