Ni2O4Sr2
Ni2O4Sr2 is a stable, semiconducting oxide material utilized primarily in the study and development of oxygen-evolution catalysts for electrochemical energy conversion.
About Ni2O4Sr2
Ni2O4Sr2 is a semiconducting oxide that sits firmly on the thermodynamic convex hull, indicating high structural stability. As a member of the oxygen-evolution catalyst class, it provides a robust framework for facilitating complex electrochemical reactions at the electrode interface.
Its electronic character makes it a subject of interest for researchers seeking to optimize charge transfer in catalytic systems. With multiple reported structures across major databases, this compound serves as a reliable candidate for exploring the relationship between crystalline arrangement and catalytic performance.
Key Properties
Cross-validated computational properties for Ni2O4Sr2, 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 Ni2O4Sr2, 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/m (No. 12) | monoclinic | 0.00 | 0.0000 | -9.916 | 5.89 |
| R-3m (No. 166) | trigonal | 0.32 | 0.0060 | -6.208 | 5.67 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.1290 | -6.360 | 4.97 |
| — | — | — | — | — | 4.29 |
| — | — | — | — | — | 4.29 |
| — | — | — | — | — | 4.29 |
| Cmcm (No. 63) | — | — | — | — | — |
Applications
Where Ni2O4Sr2 is used.
Frequently Asked Questions
Common questions about Ni2O4Sr2, answered from cross-validated data.
What is Ni2O4Sr2?
Ni2O4Sr2 is a stable, semiconducting oxide material utilized primarily in the study and development of oxygen-evolution catalysts for electrochemical energy conversion.
What is Ni2O4Sr2 used for?
What is the band gap of Ni2O4Sr2?
Is Ni2O4Sr2 a metal, semiconductor, or insulator?
Is Ni2O4Sr2 thermodynamically stable?
What is the crystal structure of Ni2O4Sr2?
What is the density of Ni2O4Sr2?
How many polymorphs of Ni2O4Sr2 are known?
What elements does Ni2O4Sr2 contain?
Where does the data for Ni2O4Sr2 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the broader family of oxygen-evolution catalysts, Ni2O4Sr2 distinguishes itself from simpler binary oxides like NiO by incorporating strontium into its lattice, which alters the electronic environment and potentially enhances catalytic activity. Compared to complex layered oxides like La2NiO4, this compound offers a different structural motif that provides researchers with a distinct pathway for tuning surface reactivity in electrochemical applications.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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