Cu4Hf2Te6
Cu4Hf2Te6 is a thermodynamically stable, semimetallic copper hafnium telluride compound.
About Cu4Hf2Te6
Cu4Hf2Te6 is a complex ternary chalcogenide that exists as a thermodynamically stable phase on the convex hull. Its electronic structure is characterized as a near-zero-gap semimetal, placing it in a unique position between traditional semiconductors and metallic conductors.
This material is of significant interest for fundamental solid-state research due to its structural stability and electronic properties. Its composition suggests potential utility in advanced electronics or thermoelectric applications where precise control over charge carrier density is required.
Key Properties
Cross-validated computational properties for Cu4Hf2Te6, 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 Cu4Hf2Te6, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.05 | 0.0000 | -5.280 | 7.63 |
| No. 0 | unknown | — | — | — | 1.95 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Cu4Hf2Te6 is used.
Frequently Asked Questions
Common questions about Cu4Hf2Te6, answered from cross-validated data.
What is Cu4Hf2Te6?
Cu4Hf2Te6 is a thermodynamically stable, semimetallic copper hafnium telluride compound.
What is Cu4Hf2Te6 used for?
What is the band gap of Cu4Hf2Te6?
Is Cu4Hf2Te6 a metal, semiconductor, or insulator?
Is Cu4Hf2Te6 thermodynamically stable?
What is the crystal structure of Cu4Hf2Te6?
What is the density of Cu4Hf2Te6?
How many polymorphs of Cu4Hf2Te6 are known?
What elements does Cu4Hf2Te6 contain?
Where does the data for Cu4Hf2Te6 come from?
How It Compares
As a unique ternary compound, Cu4Hf2Te6 serves as a standalone reference point for its specific stoichiometry within the broader landscape of copper-hafnium-telluride systems, representing a robust and stable configuration that warrants further investigation for its electronic behavior.
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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