Zn2Ga2S5
Zn2Ga2S5 is a semiconducting sulfide compound composed of zinc, gallium, and sulfur.
About Zn2Ga2S5
Zn2Ga2S5 is a complex sulfide material characterized by its semiconducting electronic nature. As a multi-component chalcogenide, it represents a specific arrangement of zinc, gallium, and sulfur atoms that has been the subject of investigation across multiple structural databases.
While the compound is noted to reside above the thermodynamic hull, suggesting potential metastability, its existence in various reported structures highlights the structural diversity inherent in these types of ternary and quaternary sulfide systems. It serves as a point of interest for researchers studying the phase space of complex semiconductor materials.
Key Properties
Cross-validated computational properties for Zn2Ga2S5, 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 Zn2Ga2S5, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 0.00 | 0.1368 | -9.744 | 3.88 |
| P63/mmc (No. 194) | hexagonal | 0.76 | 0.1394 | -9.741 | 3.99 |
| R3m (No. 160) | trigonal | 0.00 | 0.1397 | -9.741 | 3.86 |
| R-3m (No. 166) | trigonal | 0.77 | 0.1412 | -9.740 | 4.01 |
| P63mc (No. 186) | Hexagonal | — | — | — | 3.88 |
| R-3m (No. 166) | — | — | — | — | — |
| P63mc (No. 186) | Hexagonal | — | — | — | 4.02 |
| R3m (No. 160) | — | — | — | — | — |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 3.99 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 4.08 |
| P63mc (No. 186) | Hexagonal | — | — | — | 3.97 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 4.13 |
Frequently Asked Questions
Common questions about Zn2Ga2S5, answered from cross-validated data.
What is Zn2Ga2S5?
Zn2Ga2S5 is a semiconducting sulfide compound composed of zinc, gallium, and sulfur.
What is the band gap of Zn2Ga2S5?
Is Zn2Ga2S5 a metal, semiconductor, or insulator?
Is Zn2Ga2S5 thermodynamically stable?
What is the crystal structure of Zn2Ga2S5?
What is the density of Zn2Ga2S5?
How many polymorphs of Zn2Ga2S5 are known?
What elements does Zn2Ga2S5 contain?
Where does the data for Zn2Ga2S5 come from?
How It Compares
As a specific quaternary sulfide, Zn2Ga2S5 serves as a unique case study within its material class, representing the intricate balance of stoichiometry and structural stability required for complex semiconducting chalcogenides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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