NiSeO3
nickel selenite
NiSeO3 is a stable, insulating nickel selenite compound utilized in the study of oxygen-evolution catalysis.
About nickel selenite
NiSeO3 is a thermodynamically stable nickel selenite that functions within the broader class of oxide-based oxygen-evolution catalysts. As a wide-band-gap insulator, it represents a distinct structural alternative to traditional metallic or semi-metallic transition metal oxides, offering unique coordination environments for catalytic investigation.
Its stability on the convex hull makes it a significant subject for researchers studying structural diversity in oxygen-evolving materials. With multiple reported structures, this compound provides a rich platform for exploring how selenium-oxygen polyhedra influence the catalytic activity of nickel-based systems.
Key Properties
Cross-validated computational properties for nickel selenite, 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 NiSeO3, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0000 | -6.079 | 5.67 |
| C2/c (No. 15) | monoclinic | 3.07 | 0.0660 | -6.013 | 4.51 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 5.42 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 5.81 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | Orthorhombic | — | — | — | 5.56 |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where nickel selenite is used.
Frequently Asked Questions
Common questions about nickel selenite, answered from cross-validated data.
What is NiSeO3?
NiSeO3 is a stable, insulating nickel selenite compound utilized in the study of oxygen-evolution catalysis.
What is NiSeO3 used for?
What is the band gap of NiSeO3?
Is NiSeO3 a metal, semiconductor, or insulator?
Is NiSeO3 thermodynamically stable?
What is the crystal structure of NiSeO3?
What is the density of NiSeO3?
How many polymorphs of NiSeO3 are known?
What elements does NiSeO3 contain?
Where does the data for NiSeO3 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the highly conductive perovskite-structured LaNiO3 or the widely utilized battery cathode material LiCoO2, NiSeO3 is characterized by its insulating nature and distinct selenite chemistry. While materials like NiO are standard benchmarks in the field of oxygen-evolution catalysts, NiSeO3 offers a more complex anionic framework that differentiates it from simpler binary or ternary oxides.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
Analyze NiSeO3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →