Cu1Na1Te1
Cu1Na1Te1 is a semiconducting ternary telluride compound that is considered a likely candidate for experimental synthesis.
About Cu1Na1Te1
Cu1Na1Te1 is a ternary telluride characterized by semiconducting electronic properties. Its position near the thermodynamic stability hull suggests that it is a viable target for experimental synthesis and structural characterization within the broader family of copper-sodium chalcogenides.
This material is of interest to researchers exploring complex telluride systems for potential electronic applications. Given its status as a near-hull phase, it represents a significant point of study for understanding the structural diversity and stability limits of alkali-transition metal compounds.
Key Properties
Cross-validated computational properties for Cu1Na1Te1, 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 Cu1Na1Te1, 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 | 0.63 | 0.0083 | -13.860 | 5.28 |
| I4mm (No. 107) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P3m1 (No. 156) | — | — | — | — | — |
| P-6m2 (No. 187) | — | — | — | — | — |
| Fmm2 (No. 42) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 2.61 |
Applications
Where Cu1Na1Te1 is used.
Frequently Asked Questions
Common questions about Cu1Na1Te1, answered from cross-validated data.
What is Cu1Na1Te1?
Cu1Na1Te1 is a semiconducting ternary telluride compound that is considered a likely candidate for experimental synthesis.
What is Cu1Na1Te1 used for?
What is the band gap of Cu1Na1Te1?
Is Cu1Na1Te1 a metal, semiconductor, or insulator?
Is Cu1Na1Te1 thermodynamically stable?
What is the crystal structure of Cu1Na1Te1?
What is the density of Cu1Na1Te1?
How many polymorphs of Cu1Na1Te1 are known?
What elements does Cu1Na1Te1 contain?
Where does the data for Cu1Na1Te1 come from?
How It Compares
As a unique ternary phase, Cu1Na1Te1 serves as a foundational example for investigating the interplay between sodium and copper within a telluride lattice, providing a baseline for future exploration of similar quaternary or doped systems.
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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