Cu4H16O20Se4
Cu4H16O20Se4 is a semiconducting copper-selenium-oxygen compound that is theoretically stable enough to be a viable target for laboratory synthesis.
About Cu4H16O20Se4
Cu4H16O20Se4 is a complex copper-based compound characterized by its semiconducting electronic nature. Its structural composition, involving hydrogen, oxygen, and selenium, places it in a unique category of materials that bridge the gap between simple inorganic salts and more intricate coordination frameworks.
Because this compound resides near the thermodynamic stability hull, it is considered a promising candidate for experimental synthesis and characterization. Its existence across multiple reported structural databases highlights its significance as a target for researchers investigating novel semiconducting architectures.
Key Properties
Cross-validated computational properties for Cu4H16O20Se4, 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 Cu4H16O20Se4, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 0.11 | 0.0089 | -5.361 | 3.23 |
| No. 0 | unknown | — | — | — | 0.83 |
| No. 0 | unknown | — | — | — | 0.83 |
| P212121 (No. 19) | — | — | — | — | — |
| P212121 (No. 19) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Cu4H16O20Se4, answered from cross-validated data.
What is Cu4H16O20Se4?
Cu4H16O20Se4 is a semiconducting copper-selenium-oxygen compound that is theoretically stable enough to be a viable target for laboratory synthesis.
What is the band gap of Cu4H16O20Se4?
Is Cu4H16O20Se4 a metal, semiconductor, or insulator?
Is Cu4H16O20Se4 thermodynamically stable?
What is the crystal structure of Cu4H16O20Se4?
What is the density of Cu4H16O20Se4?
How many polymorphs of Cu4H16O20Se4 are known?
What elements does Cu4H16O20Se4 contain?
Where does the data for Cu4H16O20Se4 come from?
How It Compares
As a unique entry in its structural class, Cu4H16O20Se4 represents a specialized composition that offers distinct electronic behavior compared to more common binary or ternary copper compounds. Its specific stoichiometry and near-hull stability make it a noteworthy subject for those exploring the boundaries of synthetic inorganic chemistry.
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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