Al2CdS4
Al2CdS4 is a thermodynamically stable, semiconducting inorganic compound containing aluminum, cadmium, and sulfur.
About Al2CdS4
Al2CdS4 is a semiconducting compound composed of aluminum, cadmium, and sulfur. As a thermodynamically stable material situated on the convex hull, it represents a robust phase within its chemical system, offering a reliable structural foundation for research into complex chalcogenides.
Its electronic character makes it a subject of interest for specialized semiconductor applications. With multiple reported structures across major databases, this material is well-documented, providing researchers with a clear understanding of its crystalline behavior and potential for integration into electronic devices.
Key Properties
Cross-validated computational properties for Al2CdS4, 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 Al2CdS4. 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 Al2CdS4, 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. |
|---|---|---|---|---|---|
| — | — | 2.94 | 0.0000 | -1.139 | — |
| I-4 (No. 82) | tetragonal | 2.86 | 0.0000 | -1.106 | — |
| I-4 (No. 82) | tetragonal | 2.73 | 0.0000 | -10.534 | 3.08 |
| Fd-3m (No. 227) | cubic | 2.55 | 0.0171 | -1.089 | — |
| — | — | 2.63 | 0.0195 | -1.119 | — |
| Fd-3m (No. 227) | cubic | 2.46 | 0.0209 | -10.513 | 3.60 |
| — | — | 0.91 | 0.1531 | -0.986 | — |
| I-4 (No. 82) | tetragonal | — | — | — | 3.06 |
| I-4 (No. 82) | tetragonal | — | — | — | — |
| Fd-3m (No. 227) | cubic | — | — | — | — |
Applications
Where Al2CdS4 is used.
Frequently Asked Questions
Common questions about Al2CdS4, answered from cross-validated data.
What is Al2CdS4?
Al2CdS4 is a thermodynamically stable, semiconducting inorganic compound containing aluminum, cadmium, and sulfur.
What is Al2CdS4 used for?
What is the band gap of Al2CdS4?
Is Al2CdS4 a metal, semiconductor, or insulator?
Is Al2CdS4 thermodynamically stable?
What is the crystal structure of Al2CdS4?
How many polymorphs of Al2CdS4 are known?
What elements does Al2CdS4 contain?
Where does the data for Al2CdS4 come from?
How It Compares
As a distinct member of the aluminum-cadmium-sulfide system, Al2CdS4 serves as a primary reference point for understanding the stability and electronic properties of this specific stoichiometry, standing as a well-defined phase within its chemical family.
Data sources & attribution
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)
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