Bi4Ni4O20P4
Bi4Ni4O20P4 is a stable, insulating transition-metal phosphate compound used primarily in structural and materials science research.
About Bi4Ni4O20P4
Bi4Ni4O20P4 is a complex transition-metal phosphate characterized by its insulating electronic nature and high thermodynamic stability. As a member of the phosphate family, it occupies a position on the convex hull, indicating robust structural integrity under standard conditions. Its unique atomic arrangement makes it a significant candidate for fundamental studies in solid-state chemistry. The material is primarily utilized in academic and industrial research settings where stable, wide-gap inorganic frameworks are required for exploring advanced electronic or catalytic properties. Its structural complexity offers a distinct platform for investigating how bismuth and nickel ions interact within a phosphate-oxygen lattice.
Key Properties
Cross-validated computational properties for Bi4Ni4O20P4, 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 Bi4Ni4O20P4, 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 | 3.85 | 0.0000 | -7.096 | 6.35 |
| P-1 (No. 2) | triclinic | — | — | — | 3.22 |
| P21/c (No. 14) | — | — | — | — | — |
Applications
Where Bi4Ni4O20P4 is used.
Frequently Asked Questions
Common questions about Bi4Ni4O20P4, answered from cross-validated data.
What is Bi4Ni4O20P4?
Bi4Ni4O20P4 is a stable, insulating transition-metal phosphate compound used primarily in structural and materials science research.
What is Bi4Ni4O20P4 used for?
What is the band gap of Bi4Ni4O20P4?
Is Bi4Ni4O20P4 a metal, semiconductor, or insulator?
Is Bi4Ni4O20P4 thermodynamically stable?
What is the crystal structure of Bi4Ni4O20P4?
What is the density of Bi4Ni4O20P4?
How many polymorphs of Bi4Ni4O20P4 are known?
What elements does Bi4Ni4O20P4 contain?
Where does the data for Bi4Ni4O20P4 come from?
How It Compares
Within the transition-metal phosphates class.
Unlike the well-known lithium-ion battery cathode materials such as LiFePO4, LiMnPO4, and LiCoPO4, which are optimized for ion mobility and electrochemical cycling, Bi4Ni4O20P4 is defined by its stability as a complex crystalline phosphate. While materials like TiP2O7 and LiCrP2O7 are often explored for their specific ionic conductivity or thermal characteristics, Bi4Ni4O20P4 stands out for its structural robustness and its role as a stable, insulating member within the broader transition-metal phosphate class.
Related Compounds
Other Transition-Metal Phosphates 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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