Cu6H6O24P6
This compound is a copper-based phosphate material that functions as a coordination complex. It is primarily studied in the context of inorganic synthesis and materials research for its structural properties.
Key Properties
Cross-validated computational properties for Cu6H6O24P6, 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 Cu6H6O24P6, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 0.72 | 0.0000 | -6.550 | 3.25 |
| R-3 (No. 148) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.53 |
Applications
Where Cu6H6O24P6 is used.
Frequently Asked Questions
Common questions about Cu6H6O24P6, answered from cross-validated data.
What is Cu6H6O24P6?
This compound is a copper-based phosphate material that functions as a coordination complex. It is primarily studied in the context of inorganic synthesis and materials research for its structural properties.
What is Cu6H6O24P6 used for?
What is the band gap of Cu6H6O24P6?
Is Cu6H6O24P6 a metal, semiconductor, or insulator?
Is Cu6H6O24P6 thermodynamically stable?
What is the crystal structure of Cu6H6O24P6?
What is the density of Cu6H6O24P6?
How many polymorphs of Cu6H6O24P6 are known?
What elements does Cu6H6O24P6 contain?
Where does the data for Cu6H6O24P6 come from?
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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