InS2Zn
ZnIn2S4
This material is a semiconductor composed of zinc, indium, and sulfur that is widely studied for its light-harvesting properties. It is primarily utilized in research for environmental and energy-related applications due to its ability to facilitate chemical reactions when exposed to light.
Key Properties
Cross-validated computational properties for InS2Zn, 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 InS2Zn, 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. |
|---|---|---|---|---|---|
| P2/m (No. 10) | monoclinic | 1.40 | 0.0002 | -13.121 | 4.34 |
| Fd-3m (No. 227) | cubic | 1.12 | 0.0140 | -13.107 | 4.57 |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.0541 | -13.067 | 3.77 |
| P3m1 (No. 156) | trigonal | 0.11 | 0.0586 | -13.062 | 4.20 |
| P63mc (No. 186) | hexagonal | 0.13 | 0.0594 | -13.062 | 4.21 |
| R3m (No. 160) | trigonal | 0.14 | 0.0599 | -13.061 | 4.21 |
| R3m (No. 160) | trigonal | 0.08 | 0.0699 | -13.051 | 4.21 |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.0750 | -13.046 | 4.00 |
| — | — | — | — | — | 5.49 |
| R-3m (No. 166) | — | — | — | — | — |
Applications
Where InS2Zn is used.
Frequently Asked Questions
Common questions about InS2Zn, answered from cross-validated data.
What is InS2Zn?
This material is a semiconductor composed of zinc, indium, and sulfur that is widely studied for its light-harvesting properties. It is primarily utilized in research for environmental and energy-related applications due to its ability to facilitate chemical reactions when exposed to light.
What is InS2Zn used for?
What is the band gap of InS2Zn?
Is InS2Zn a metal, semiconductor, or insulator?
Is InS2Zn thermodynamically stable?
What is the crystal structure of InS2Zn?
What is the density of InS2Zn?
How many polymorphs of InS2Zn are known?
What elements does InS2Zn contain?
Where does the data for InS2Zn come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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