CuScSe2
CuScSe2 is a stable, semiconducting ternary chalcogenide composed of copper, scandium, and selenium.
About CuScSe2
CuScSe2 is a ternary chalcogenide that exhibits semiconducting behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of copper, scandium, and selenium atoms. Its electronic properties make it an interesting candidate for investigation within the broader field of semiconductor physics.
The material is characterized by a well-defined structural profile, with multiple reported configurations across various databases. This structural diversity suggests that CuScSe2 can exist in different forms, providing researchers with opportunities to tune its functional characteristics for specialized electronic or optoelectronic applications.
Key Properties
Cross-validated computational properties for CuScSe2, 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 CuScSe2, 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 | 0.66 | 0.0000 | -14.005 | 5.31 |
| P21/c (No. 14) | monoclinic | 0.81 | 0.0025 | -14.002 | 5.31 |
| P3m1 (No. 156) | trigonal | 0.64 | 0.0118 | -13.993 | 5.28 |
| — | — | — | — | — | 5.94 |
| — | — | — | — | — | 4.33 |
| Pmmm (No. 47) | — | — | — | — | — |
| — | — | — | — | — | 5.16 |
| — | — | — | — | — | 5.16 |
Applications
Where CuScSe2 is used.
Frequently Asked Questions
Common questions about CuScSe2, answered from cross-validated data.
What is CuScSe2?
CuScSe2 is a stable, semiconducting ternary chalcogenide composed of copper, scandium, and selenium.
What is CuScSe2 used for?
What is the band gap of CuScSe2?
Is CuScSe2 a metal, semiconductor, or insulator?
Is CuScSe2 thermodynamically stable?
What is the crystal structure of CuScSe2?
What is the density of CuScSe2?
How many polymorphs of CuScSe2 are known?
What elements does CuScSe2 contain?
Where does the data for CuScSe2 come from?
How It Compares
As a member of the ternary copper-scandium-selenide family, CuScSe2 serves as a foundational example of stable chalcogenide semiconductors. Without direct structural siblings in this specific class, it stands as a primary reference point for understanding how the integration of scandium into copper-based selenide frameworks influences overall thermodynamic stability and electronic performance.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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