CuScSe
Copper scandium selenide is a quaternary semiconductor material belonging to the chalcogenide family. It is primarily studied for its potential utility in optoelectronic devices and advanced materials research.
CuScSe
Overview
Key Properties
Cross-validated computational properties for CuScSe, 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.
0.91 eV
Range across DFT structures
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.
0.026 eV/atom
Best (lowest) across sources
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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
4
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for CuScSe, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 0.91 | 0.0262 | -13.188 | 5.65 |
| — | — | — | — | — | — |
| — | — | — | — | — | 5.49 |
| — | — | — | — | — | 4.90 |
Uses
Applications
Where CuScSe is used.
Semiconductor researchOptoelectronic device developmentMaterials science experimentation
Reference
Frequently Asked Questions
Common questions about CuScSe, answered from cross-validated data.
What is CuScSe?
Copper scandium selenide is a quaternary semiconductor material belonging to the chalcogenide family. It is primarily studied for its potential utility in optoelectronic devices and advanced materials research.
More questions
What is CuScSe used for?
CuScSe is used in semiconductor research, optoelectronic device development, and materials science experimentation.
What is the band gap of CuScSe?
CuScSe has a DFT-computed band gap of 0.91 eV across 4 reported structures.
Is CuScSe a metal, semiconductor, or insulator?
With a band gap up to 0.91 eV it is a semiconductor.
Is CuScSe thermodynamically stable?
CuScSe has a lowest energy above hull of 0.026 eV/atom (metastable).
What is the crystal structure of CuScSe?
The lowest-energy reported polymorph of CuScSe is trigonal symmetry, space group R-3 (No. 148).
What is the density of CuScSe?
The computed density of the ground-state structure of CuScSe is 5.65 g/cm³.
How many polymorphs of CuScSe are known?
4 structures of CuScSe are reported across 3 databases, spanning 1 distinct space group.
What elements does CuScSe contain?
CuScSe contains Cu, Sc, and Se (3 elements).
Where does the data for CuScSe come from?
CuScSe data is cross-referenced from materials_project, alexandria, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- alexandria — Data from alexandria.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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