InGaS3
Indium gallium sulfide is a semiconductor material belonging to the chalcogenide family. It is primarily studied for its potential in optoelectronic devices and light-harvesting technologies.
GaInS
Overview
Key Properties
Cross-validated computational properties for InGaS3, 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.
0.05–2.09 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.
15
3 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for InGaS3, 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. |
|---|---|---|---|---|---|
| P61 (No. 169) | hexagonal | 2.09 | 0.0000 | -12.405 | 3.89 |
| Cmc21 (No. 36) | orthorhombic | 1.68 | 0.0172 | -12.388 | 3.97 |
| P1 (No. 1) | triclinic | 0.05 | 0.0760 | -12.329 | 3.83 |
| P3m1 (No. 156) | trigonal | 0.00 | 0.2985 | -12.106 | 3.68 |
| Cmc21 (No. 36) | — | — | — | — | — |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 3.97 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 4.14 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 4.07 |
| P61 (No. 169) | Hexagonal | — | — | — | 3.76 |
| P61 (No. 169) | Hexagonal | — | — | — | 3.92 |
| P61 (No. 169) | Hexagonal | — | — | — | 3.86 |
| P1 (No. 1) | — | — | — | — | — |
Uses
Applications
Where InGaS3 is used.
PhotodetectorsSolar cellsOptical sensors
Reference
Frequently Asked Questions
Common questions about InGaS3, answered from cross-validated data.
What is InGaS3?
Indium gallium sulfide is a semiconductor material belonging to the chalcogenide family. It is primarily studied for its potential in optoelectronic devices and light-harvesting technologies.
More questions
What is InGaS3 used for?
InGaS3 is used in photodetectors, solar cells, and optical sensors.
What is the band gap of InGaS3?
InGaS3 has a DFT-computed band gap of 0.05–2.09 eV across 15 reported structures.
Is InGaS3 a metal, semiconductor, or insulator?
With a band gap up to 2.09 eV it is a semiconductor.
Is InGaS3 thermodynamically stable?
Yes — InGaS3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of InGaS3?
The lowest-energy reported polymorph of InGaS3 is hexagonal symmetry, space group P61 (No. 169).
What is the density of InGaS3?
The computed density of the ground-state structure of InGaS3 is 3.89 g/cm³.
How many polymorphs of InGaS3 are known?
15 structures of InGaS3 are reported across 3 databases, spanning 4 distinct space groups.
What elements does InGaS3 contain?
InGaS3 contains Ga, In, and S (3 elements).
Where does the data for InGaS3 come from?
InGaS3 data is cross-referenced from materials_project, jarvis, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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