Ni1O3P1
Nickel phosphite · Nickel(II) phosphite
Nickel phosphite is an inorganic compound that serves as a source of nickel and phosphorus in various chemical processes. It is primarily utilized in specialized industrial applications involving chemical synthesis and material surface treatments.
Key Properties
Cross-validated computational properties for Nickel phosphite, 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 Ni1O3P1, 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/c (No. 15) | monoclinic | 1.49 | 0.0000 | -7.525 | 4.00 |
| Pccn (No. 56) | orthorhombic | 0.00 | 0.0449 | -7.392 | 3.61 |
| Pbcm (No. 57) | orthorhombic | 0.00 | 0.0475 | -7.389 | 3.07 |
| R3 (No. 146) | trigonal | 0.00 | 0.0476 | -7.389 | 2.96 |
| Pcca (No. 54) | orthorhombic | 0.00 | 0.0589 | -7.378 | 3.27 |
| P212121 (No. 19) | orthorhombic | 1.07 | 0.0702 | -7.366 | 3.74 |
| P-1 (No. 2) | triclinic | 0.30 | 0.0734 | -7.363 | 3.57 |
| P-1 (No. 2) | triclinic | 0.00 | 0.0754 | -7.361 | 3.34 |
| P212121 (No. 19) | orthorhombic | 0.44 | 0.0755 | -7.361 | 3.76 |
| P-1 (No. 2) | triclinic | 0.17 | 0.0788 | -7.358 | 3.42 |
| Cc (No. 9) | monoclinic | 0.13 | 0.0796 | -7.357 | 3.57 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0972 | -7.293 | 2.84 |
Applications
Where Nickel phosphite is used.
Frequently Asked Questions
Common questions about Nickel phosphite, answered from cross-validated data.
What is Ni1O3P1?
Nickel phosphite is an inorganic compound that serves as a source of nickel and phosphorus in various chemical processes. It is primarily utilized in specialized industrial applications involving chemical synthesis and material surface treatments.
What is Ni1O3P1 used for?
What is the band gap of Ni1O3P1?
Is Ni1O3P1 a metal, semiconductor, or insulator?
Is Ni1O3P1 thermodynamically stable?
What is the crystal structure of Ni1O3P1?
What is the density of Ni1O3P1?
How many polymorphs of Ni1O3P1 are known?
What elements does Ni1O3P1 contain?
Where does the data for Ni1O3P1 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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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