Ni4O44P16
This compound is a nickel-based phosphate material characterized by its complex crystalline structure. It is primarily utilized in academic research settings to study the structural properties of transition metal phosphates and their potential roles in advanced materials science.
Key Properties
Cross-validated computational properties for Ni4O44P16, 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 Ni4O44P16, 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 | 5.04 | 0.0000 | -7.543 | 2.90 |
| P21/c (No. 14) | monoclinic | 5.07 | 0.0023 | -7.540 | 2.81 |
| P21/c (No. 14) | monoclinic | 4.89 | 0.0055 | -7.537 | 2.77 |
| P-1 (No. 2) | triclinic | 4.55 | 0.0103 | -7.532 | 2.96 |
| No. 0 | unknown | — | — | — | 0.72 |
| — | — | — | — | — | 1.84 |
Applications
Where Ni4O44P16 is used.
Frequently Asked Questions
Common questions about Ni4O44P16, answered from cross-validated data.
What is Ni4O44P16?
This compound is a nickel-based phosphate material characterized by its complex crystalline structure. It is primarily utilized in academic research settings to study the structural properties of transition metal phosphates and their potential roles in advanced materials science.
What is Ni4O44P16 used for?
What is the band gap of Ni4O44P16?
Is Ni4O44P16 a metal, semiconductor, or insulator?
Is Ni4O44P16 thermodynamically stable?
What is the crystal structure of Ni4O44P16?
What is the density of Ni4O44P16?
How many polymorphs of Ni4O44P16 are known?
What elements does Ni4O44P16 contain?
Where does the data for Ni4O44P16 come from?
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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