NiTeO4
NiTeO4 is a stable, semiconducting nickel tellurium oxide utilized in the study and development of oxygen-evolution catalysts.
About NiTeO4
NiTeO4 is a thermodynamically stable oxide that functions as a semiconductor. Its position on the convex hull suggests a robust structural integrity that makes it a compelling candidate for electrochemical applications in oxygen-evolution catalysis.
As a member of the transition metal oxide family, it plays a vital role in the development of efficient catalytic materials. With multiple reported structures, it provides researchers with a versatile platform for exploring charge transport and surface reactivity in energy conversion systems.
Key Properties
Cross-validated computational properties for NiTeO4, 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 NiTeO4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.28 | 0.0000 | -6.197 | 6.35 |
| P2/m (No. 10) | monoclinic | 0.44 | 0.0991 | -6.098 | 5.19 |
| Imma (No. 74) | orthorhombic | 0.32 | 0.1215 | -6.076 | 5.11 |
| Imma (No. 74) | Orthorhombic | — | — | — | 5.11 |
| Imma (No. 74) | Orthorhombic | — | — | — | 5.54 |
| Imma (No. 74) | Orthorhombic | — | — | — | 5.28 |
| P21/c (No. 14) | Monoclinic | — | — | — | 6.05 |
| P21/c (No. 14) | Monoclinic | — | — | — | 6.59 |
| P21/c (No. 14) | Monoclinic | — | — | — | 6.28 |
| P2/m (No. 10) | — | — | — | — | — |
| Imma (No. 74) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
Applications
Where NiTeO4 is used.
Frequently Asked Questions
Common questions about NiTeO4, answered from cross-validated data.
What is NiTeO4?
NiTeO4 is a stable, semiconducting nickel tellurium oxide utilized in the study and development of oxygen-evolution catalysts.
What is NiTeO4 used for?
What is the band gap of NiTeO4?
Is NiTeO4 a metal, semiconductor, or insulator?
Is NiTeO4 thermodynamically stable?
What is the crystal structure of NiTeO4?
What is the density of NiTeO4?
How many polymorphs of NiTeO4 are known?
What elements does NiTeO4 contain?
Where does the data for NiTeO4 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the class of oxygen-evolution catalysts, NiTeO4 distinguishes itself from more traditional binary oxides like NiO by incorporating tellurium, which modifies the electronic landscape. While layered materials like LiNiO2 or La2NiO4 are often prioritized for their specific intercalation properties, NiTeO4 offers a different structural framework that contributes to the diversity of stable oxide catalysts available for catalytic research.
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).
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