Cu4F4H16O20P4
Cu4F4H16O20P4 is a stable, semiconducting transition-metal phosphate used in materials science research.
About Cu4F4H16O20P4
Cu4F4H16O20P4 is a complex transition-metal phosphate that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement within the phosphate family, characterized by its specific coordination of copper, fluorine, and phosphate groups.
This material is of significant interest in solid-state chemistry due to its unique structural composition. Its stability and electronic properties make it a subject of investigation for researchers aiming to understand the fundamental interactions within transition-metal phosphate frameworks.
Key Properties
Cross-validated computational properties for Cu4F4H16O20P4, 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 Cu4F4H16O20P4, 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 | 0.41 | 0.0000 | -5.882 | 2.55 |
| P21/c (No. 14) | — | — | — | — | — |
| P21/c (No. 14) | monoclinic | — | — | — | 0.65 |
Applications
Where Cu4F4H16O20P4 is used.
Frequently Asked Questions
Common questions about Cu4F4H16O20P4, answered from cross-validated data.
What is Cu4F4H16O20P4?
Cu4F4H16O20P4 is a stable, semiconducting transition-metal phosphate used in materials science research.
What is Cu4F4H16O20P4 used for?
What is the band gap of Cu4F4H16O20P4?
Is Cu4F4H16O20P4 a metal, semiconductor, or insulator?
Is Cu4F4H16O20P4 thermodynamically stable?
What is the crystal structure of Cu4F4H16O20P4?
What is the density of Cu4F4H16O20P4?
How many polymorphs of Cu4F4H16O20P4 are known?
What elements does Cu4F4H16O20P4 contain?
Where does the data for Cu4F4H16O20P4 come from?
How It Compares
Within the transition-metal phosphates class.
Unlike the well-known battery cathode materials such as LiFePO4 or LiMnPO4, which are primarily studied for their lithium-ion storage capabilities, Cu4F4H16O20P4 is a structurally distinct phosphate that emphasizes the role of fluorine-copper coordination in defining its semiconducting character.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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