Cu8O40Se8
This inorganic compound is a complex copper selenite structure. It is primarily studied by researchers in solid-state chemistry to understand its unique crystal lattice arrangements and magnetic properties.
Overview
Key Properties
Cross-validated computational properties for Cu8O40Se8, 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.
0.24 eV
Range across DFT structures
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.
0.214 eV/atom
Best (lowest) across sources
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.
Above hull
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Cu8O40Se8, 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 | 0.00 | 0.2143 | -5.271 | 3.53 |
| P21/c (No. 14) | monoclinic | 0.24 | 0.3541 | -5.131 | 3.38 |
| P212121 (No. 19) | orthorhombic | 0.00 | 0.4694 | -5.015 | 3.60 |
| — | — | — | — | — | 4.28 |
| No. 0 | unknown | — | — | — | 0.84 |
Uses
Applications
Where Cu8O40Se8 is used.
Materials science researchSolid-state physics studiesCrystallographic analysis
Reference
Frequently Asked Questions
Common questions about Cu8O40Se8, answered from cross-validated data.
What is Cu8O40Se8?
This inorganic compound is a complex copper selenite structure. It is primarily studied by researchers in solid-state chemistry to understand its unique crystal lattice arrangements and magnetic properties.
More questions
What is Cu8O40Se8 used for?
Cu8O40Se8 is used in materials science research, solid-state physics studies, and crystallographic analysis.
What is the band gap of Cu8O40Se8?
Cu8O40Se8 has a DFT-computed band gap of 0.24 eV across 5 reported structures.
Is Cu8O40Se8 a metal, semiconductor, or insulator?
With a band gap up to 0.24 eV it is a semiconductor.
Is Cu8O40Se8 thermodynamically stable?
Cu8O40Se8 has a lowest energy above hull of 0.214 eV/atom (above hull).
What is the crystal structure of Cu8O40Se8?
The lowest-energy reported polymorph of Cu8O40Se8 is orthorhombic symmetry, space group P212121 (No. 19).
What is the density of Cu8O40Se8?
The computed density of the ground-state structure of Cu8O40Se8 is 3.53 g/cm³.
How many polymorphs of Cu8O40Se8 are known?
5 structures of Cu8O40Se8 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Cu8O40Se8 contain?
Cu8O40Se8 contains Cu, O, and Se (3 elements).
Where does the data for Cu8O40Se8 come from?
Cu8O40Se8 data is cross-referenced from materials_project, omat24, cod.
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Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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