Cs2Ga2S4
This compound is a complex sulfide containing cesium and gallium. It is primarily studied in materials science research for its potential optical and electronic properties in the solid state.
CsGaS
Overview
Key Properties
Cross-validated computational properties for Cs2Ga2S4, 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.
3.06 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
6
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Cs2Ga2S4, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 3.06 | 0.0000 | -14.385 | 3.52 |
| — | — | — | — | — | 3.75 |
| C2/c (No. 15) | — | — | — | — | — |
| — | — | — | — | — | 3.34 |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
Uses
Applications
Where Cs2Ga2S4 is used.
Materials science researchSolid-state chemistry studiesOptical materials development
Reference
Frequently Asked Questions
Common questions about Cs2Ga2S4, answered from cross-validated data.
What is Cs2Ga2S4?
This compound is a complex sulfide containing cesium and gallium. It is primarily studied in materials science research for its potential optical and electronic properties in the solid state.
More questions
What is Cs2Ga2S4 used for?
Cs2Ga2S4 is used in materials science research, solid-state chemistry studies, and optical materials development.
What is the band gap of Cs2Ga2S4?
Cs2Ga2S4 has a DFT-computed band gap of 3.06 eV across 6 reported structures.
Is Cs2Ga2S4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.06 eV it is an insulator / wide-band-gap material.
Is Cs2Ga2S4 thermodynamically stable?
Yes — Cs2Ga2S4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cs2Ga2S4?
The lowest-energy reported polymorph of Cs2Ga2S4 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of Cs2Ga2S4?
The computed density of the ground-state structure of Cs2Ga2S4 is 3.52 g/cm³.
How many polymorphs of Cs2Ga2S4 are known?
6 structures of Cs2Ga2S4 are reported across 3 databases, spanning 1 distinct space group.
What elements does Cs2Ga2S4 contain?
Cs2Ga2S4 contains Cs, Ga, and S (3 elements).
Where does the data for Cs2Ga2S4 come from?
Cs2Ga2S4 data is cross-referenced from materials_project, omat24, aflow.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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