Cu2GeS3
Cu2GeS3 is a thermodynamically stable semiconducting ternary sulfide used in research for optoelectronic and energy-related applications.
About Cu2GeS3
Cu2GeS3 is a complex ternary sulfide that exhibits semiconducting behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of copper, germanium, and sulfur atoms that has been extensively documented across multiple databases.
Its significance lies in its electronic properties, which make it a candidate for research in thin-film technologies and energy conversion. The material's stability and well-defined structural characteristics provide a reliable foundation for investigating its performance in various electronic and optoelectronic environments.
Key Properties
Cross-validated computational properties for Cu2GeS3, aggregated across 5 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Cu2GeS3. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Cu2GeS3, 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. |
|---|---|---|---|---|---|
| Cc (No. 9) | monoclinic | 0.11 | 0.0000 | -4.779 | 4.49 |
| — | — | 0.23 | 0.0015 | -0.470 | — |
| — | — | 0.00 | 0.0017 | -0.470 | — |
| Imm2 (No. 44) | orthorhombic | 0.00 | 0.0023 | -4.777 | 4.48 |
| Cc (No. 9) | monoclinic | 0.13 | 0.0023 | -0.381 | — |
| Imm2 (No. 44) | orthorhombic | 0.00 | 0.0033 | -0.380 | — |
| Fdd2 (No. 43) | orthorhombic | 0.03 | 0.0059 | -4.773 | 4.38 |
| — | — | 0.00 | 0.0094 | -0.462 | — |
| — | — | 0.00 | 0.0919 | -0.379 | — |
| Fdd2 (No. 43) | orthorhombic | — | — | — | 4.49 |
| Fdd2 (No. 43) | orthorhombic | — | — | — | 4.53 |
| Cc (No. 9) | monoclinic | — | — | — | 4.35 |
Applications
Where Cu2GeS3 is used.
Frequently Asked Questions
Common questions about Cu2GeS3, answered from cross-validated data.
What is Cu2GeS3?
Cu2GeS3 is a thermodynamically stable semiconducting ternary sulfide used in research for optoelectronic and energy-related applications.
What is Cu2GeS3 used for?
What is the band gap of Cu2GeS3?
Is Cu2GeS3 a metal, semiconductor, or insulator?
Is Cu2GeS3 thermodynamically stable?
What is the crystal structure of Cu2GeS3?
What is the density of Cu2GeS3?
How many polymorphs of Cu2GeS3 are known?
What elements does Cu2GeS3 contain?
Where does the data for Cu2GeS3 come from?
How It Compares
As a distinct ternary sulfide, Cu2GeS3 occupies a specialized niche in materials science, serving as a stable building block for semiconductor research. Without direct structural siblings in this specific class, it stands as a primary reference point for understanding the interplay between copper-germanium-sulfur stoichiometry and electronic functionality.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- alexandria — Data from Alexandria. Cite: Schmidt et al., npj Comput. Mater. 10, 200 (2024). (CC-BY-4.0)
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