Cu2Hf2Se6Tl2
Cu2Hf2Se6Tl2 is a stable, semiconducting quaternary chalcogenide material used in fundamental solid-state research.
About Cu2Hf2Se6Tl2
Cu2Hf2Se6Tl2 is a complex quaternary chalcogenide that exists as a thermodynamically stable phase on the convex hull. Its electronic character identifies it as a semiconductor, making it a subject of interest for researchers investigating new functional materials with tunable optoelectronic properties.
Because it is a stable member of the copper-hafnium-selenium-thallium system, this compound is valuable for fundamental studies into structural diversity. With multiple reported structures across databases, it serves as a key reference point for understanding how these elements arrange themselves in solid-state configurations.
Key Properties
Cross-validated computational properties for Cu2Hf2Se6Tl2, 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 Cu2Hf2Se6Tl2, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 0.42 | 0.0000 | -5.573 | 7.79 |
| Cmcm (No. 63) | — | — | — | — | — |
| — | — | — | — | — | 6.90 |
Applications
Where Cu2Hf2Se6Tl2 is used.
Frequently Asked Questions
Common questions about Cu2Hf2Se6Tl2, answered from cross-validated data.
What is Cu2Hf2Se6Tl2?
Cu2Hf2Se6Tl2 is a stable, semiconducting quaternary chalcogenide material used in fundamental solid-state research.
What is Cu2Hf2Se6Tl2 used for?
What is the band gap of Cu2Hf2Se6Tl2?
Is Cu2Hf2Se6Tl2 a metal, semiconductor, or insulator?
Is Cu2Hf2Se6Tl2 thermodynamically stable?
What is the crystal structure of Cu2Hf2Se6Tl2?
What is the density of Cu2Hf2Se6Tl2?
How many polymorphs of Cu2Hf2Se6Tl2 are known?
What elements does Cu2Hf2Se6Tl2 contain?
Where does the data for Cu2Hf2Se6Tl2 come from?
How It Compares
As a unique quaternary compound, Cu2Hf2Se6Tl2 occupies a distinct position in materials science where its stability and semiconducting nature provide a foundation for exploring complex chalcogenide chemistry in the absence of more common binary or ternary analogs.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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