Pr2NiO4
Pr2NiO4 is a semiconducting, metastable oxide material primarily investigated for its potential as an efficient oxygen-evolution catalyst.
About Pr2NiO4
Pr2NiO4 is a semiconducting oxide that functions as a key material in the field of oxygen-evolution catalysis. Its unique electronic structure and metastable nature make it a subject of significant interest for researchers investigating efficient electrochemical energy conversion processes.
This compound is utilized in applications where oxygen exchange and catalytic activity are paramount. By leveraging its specific structural characteristics, scientists aim to optimize performance in systems requiring robust and active oxide-based catalysts.
Key Properties
Cross-validated computational properties for Pr2NiO4, aggregated across 2 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 Pr2NiO4, 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. |
|---|---|---|---|---|---|
| P42/ncm (No. 138) | tetragonal | 0.10 | 0.0581 | -7.977 | 7.01 |
| Cmce (No. 64) | orthorhombic | 0.00 | 0.0606 | -7.974 | 7.03 |
| I4/mmm (No. 139) | tetragonal | 0.31 | 0.0838 | -7.951 | 7.16 |
| I4/mmm (No. 139) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting Pr2NiO4.
Applications
Where Pr2NiO4 is used.
Frequently Asked Questions
Common questions about Pr2NiO4, answered from cross-validated data.
What is Pr2NiO4?
Pr2NiO4 is a semiconducting, metastable oxide material primarily investigated for its potential as an efficient oxygen-evolution catalyst.
What is Pr2NiO4 used for?
What is the band gap of Pr2NiO4?
Is Pr2NiO4 a metal, semiconductor, or insulator?
Is Pr2NiO4 thermodynamically stable?
What is the crystal structure of Pr2NiO4?
What is the density of Pr2NiO4?
How many polymorphs of Pr2NiO4 are known?
How is Pr2NiO4 synthesized?
What elements does Pr2NiO4 contain?
Where does the data for Pr2NiO4 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the class of oxide oxygen-evolution catalysts, Pr2NiO4 is structurally analogous to La2NiO4, sharing the same Ruddlesden-Popper framework that defines its catalytic behavior. While simpler binary oxides like NiO are widely used, Pr2NiO4 offers a more complex lattice architecture that can be tuned to enhance surface reactivity compared to more conventional materials like LiCoO2 or LaMnO3.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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