Ni2O6Sn2
Ni2O6Sn2 is a metastable, semiconducting ternary oxide utilized in the development of advanced oxygen-evolution catalysts.
About Ni2O6Sn2
Ni2O6Sn2 is a complex ternary oxide that functions as a semiconducting material within the oxygen-evolution catalyst class. Its composition of nickel, tin, and oxygen positions it as a subject of interest for researchers aiming to optimize catalytic performance in electrochemical systems.
Despite its metastable nature, the compound has garnered significant attention, as evidenced by multiple reported structures across major materials databases. Its unique electronic character makes it a candidate for specialized applications where precise control over surface reactivity and charge transport is required.
Key Properties
Cross-validated computational properties for Ni2O6Sn2, 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 Ni2O6Sn2, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 1.77 | 0.0262 | -6.652 | 6.48 |
| I4/mcm (No. 140) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
| R-3c (No. 167) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
| I4/mcm (No. 140) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
| R-3c (No. 167) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
| — | — | — | — | — | 5.59 |
Applications
Where Ni2O6Sn2 is used.
Frequently Asked Questions
Common questions about Ni2O6Sn2, answered from cross-validated data.
What is Ni2O6Sn2?
Ni2O6Sn2 is a metastable, semiconducting ternary oxide utilized in the development of advanced oxygen-evolution catalysts.
What is Ni2O6Sn2 used for?
What is the band gap of Ni2O6Sn2?
Is Ni2O6Sn2 a metal, semiconductor, or insulator?
Is Ni2O6Sn2 thermodynamically stable?
What is the crystal structure of Ni2O6Sn2?
What is the density of Ni2O6Sn2?
How many polymorphs of Ni2O6Sn2 are known?
What elements does Ni2O6Sn2 contain?
Where does the data for Ni2O6Sn2 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the broad category of oxygen-evolution catalysts, Ni2O6Sn2 occupies a distinct niche compared to more conventional materials like NiO or the layered LiNiO2. While many of its class members, such as LaNiO3 or La2NiO4, are well-established perovskite-related oxides, Ni2O6Sn2 represents a more complex structural arrangement that offers different pathways for catalytic activity.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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