Cu1Na1Se1
Cu1Na1Se1 is a metastable, semimetallic ternary compound composed of copper, sodium, and selenium.
About Cu1Na1Se1
Cu1Na1Se1 is a ternary chalcogenide characterized by its near-zero-gap electronic structure, placing it in the regime of semimetallic materials. Its metastable nature suggests a complex synthesis landscape, reflected in the variety of structural arrangements documented for this composition. The interplay between copper, sodium, and selenium in this lattice provides a distinct electronic profile. As a metastable phase, it represents a specialized material system that requires precise control during formation, offering potential for research into unconventional electronic behaviors.
Key Properties
Cross-validated computational properties for Cu1Na1Se1, 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 Cu1Na1Se1, 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. |
|---|---|---|---|---|---|
| P4/nmm (No. 129) | tetragonal | 0.05 | 0.0386 | -10.297 | 4.94 |
| P-6m2 (No. 187) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| Fmm2 (No. 42) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| P3m1 (No. 156) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 2.40 |
| No. 0 | unknown | — | — | — | 1.24 |
Frequently Asked Questions
Common questions about Cu1Na1Se1, answered from cross-validated data.
What is Cu1Na1Se1?
Cu1Na1Se1 is a metastable, semimetallic ternary compound composed of copper, sodium, and selenium.
What is the band gap of Cu1Na1Se1?
Is Cu1Na1Se1 a metal, semiconductor, or insulator?
Is Cu1Na1Se1 thermodynamically stable?
What is the crystal structure of Cu1Na1Se1?
What is the density of Cu1Na1Se1?
How many polymorphs of Cu1Na1Se1 are known?
What elements does Cu1Na1Se1 contain?
Where does the data for Cu1Na1Se1 come from?
How It Compares
As a unique ternary phase, Cu1Na1Se1 serves as a distinct entry in the study of copper-sodium-chalcogenide systems, representing a specific metastable configuration that highlights the diverse structural possibilities inherent in these elemental combinations.
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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