Cu2Ga2Se4
Cu2Ga2Se4 is a thermodynamically stable chalcogenide material with semimetallic electronic properties used in photovoltaic research.
About Cu2Ga2Se4
Cu2Ga2Se4 is a member of the chalcogenide photovoltaic absorber family, characterized by its robust thermodynamic stability as a phase on the convex hull. Its unique electronic structure, which behaves as a near-zero-gap semimetallic material, distinguishes it from typical wide-gap semiconductors in the same class.
This compound is of significant interest in materials research due to its structural versatility, with numerous reported configurations across major databases. Its specific electronic profile makes it a compelling subject for studies into advanced thin-film solar cell architectures and optoelectronic devices.
Key Properties
Cross-validated computational properties for Cu2Ga2Se4, 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 Cu2Ga2Se4, 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. |
|---|---|---|---|---|---|
| I-42d (No. 122) | tetragonal | 0.04 | 0.0000 | -13.302 | 5.55 |
| I41/amd (No. 141) | tetragonal | 0.00 | 0.2361 | -13.066 | 6.44 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.2490 | -13.053 | 6.45 |
| I-42d (No. 122) | — | — | — | — | — |
| I-42d (No. 122) | — | — | — | — | — |
| I-42d (No. 122) | — | — | — | — | — |
| I-42d (No. 122) | — | — | — | — | — |
| I-42d (No. 122) | — | — | — | — | — |
| I-42d (No. 122) | — | — | — | — | — |
| I-42d (No. 122) | — | — | — | — | — |
| I-42d (No. 122) | — | — | — | — | — |
| I-42d (No. 122) | — | — | — | — | — |
Applications
Where Cu2Ga2Se4 is used.
Frequently Asked Questions
Common questions about Cu2Ga2Se4, answered from cross-validated data.
What is Cu2Ga2Se4?
Cu2Ga2Se4 is a thermodynamically stable chalcogenide material with semimetallic electronic properties used in photovoltaic research.
What is Cu2Ga2Se4 used for?
What is the band gap of Cu2Ga2Se4?
Is Cu2Ga2Se4 a metal, semiconductor, or insulator?
Is Cu2Ga2Se4 thermodynamically stable?
What is the crystal structure of Cu2Ga2Se4?
What is the density of Cu2Ga2Se4?
How many polymorphs of Cu2Ga2Se4 are known?
What elements does Cu2Ga2Se4 contain?
Where does the data for Cu2Ga2Se4 come from?
How It Compares
Within the chalcogenide photovoltaic absorbers class.
Unlike many of its counterparts in the chalcogenide class such as Cu2SnSe3 or Cu2SnS3, which typically function as traditional semiconductors, Cu2Ga2Se4 exhibits a semimetallic electronic character. While it shares the fundamental chalcogenide framework common to materials like InCuS2, its distinct electronic behavior positions it as a specialized candidate for research into non-traditional photovoltaic absorber layers.
Related Compounds
Other Chalcogenide Photovoltaic Absorbers in the database.
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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