Cs8I16Zn4
This compound is a complex inorganic halide containing cesium, zinc, and iodine. It is primarily studied in academic research for its structural properties and potential utility in advanced optoelectronic materials.
CsIZn
Overview
Key Properties
Cross-validated computational properties for Cs8I16Zn4, 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.
3.22 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
6
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Cs8I16Zn4, 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. |
|---|---|---|---|---|---|
| Pna21 (No. 33) | orthorhombic | 3.22 | 0.0000 | -2.706 | 3.91 |
| Pnma (No. 62) | orthorhombic | 3.18 | 0.0007 | -2.705 | 4.16 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.82 |
| Pnma (No. 62) | — | — | — | — | — |
Uses
Applications
Where Cs8I16Zn4 is used.
Materials science researchSolid-state chemistry studiesPotential semiconductor development
Reference
Frequently Asked Questions
Common questions about Cs8I16Zn4, answered from cross-validated data.
What is Cs8I16Zn4?
This compound is a complex inorganic halide containing cesium, zinc, and iodine. It is primarily studied in academic research for its structural properties and potential utility in advanced optoelectronic materials.
More questions
What is Cs8I16Zn4 used for?
Cs8I16Zn4 is used in materials science research, solid-state chemistry studies, and potential semiconductor development.
What is the band gap of Cs8I16Zn4?
Cs8I16Zn4 has a DFT-computed band gap of 3.22 eV across 6 reported structures.
Is Cs8I16Zn4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.22 eV it is an insulator / wide-band-gap material.
Is Cs8I16Zn4 thermodynamically stable?
Yes — Cs8I16Zn4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cs8I16Zn4?
The lowest-energy reported polymorph of Cs8I16Zn4 is orthorhombic symmetry, space group Pna21 (No. 33).
What is the density of Cs8I16Zn4?
The computed density of the ground-state structure of Cs8I16Zn4 is 3.91 g/cm³.
How many polymorphs of Cs8I16Zn4 are known?
6 structures of Cs8I16Zn4 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Cs8I16Zn4 contain?
Cs8I16Zn4 contains Cs, I, and Zn (3 elements).
Where does the data for Cs8I16Zn4 come from?
Cs8I16Zn4 data is cross-referenced from materials_project, aflow, cod.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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