InS2
Indium disulfide is a semiconductor material composed of indium and sulfur. It is primarily studied for its potential utility in optoelectronic devices and thin-film solar cell technologies.
InS
Overview
Key Properties
Cross-validated computational properties for InS2, aggregated across 4 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.
Metallic / not reported
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.
0.289 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.
Above hull
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
93
4 databases, 18 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for InS2, 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. |
|---|---|---|---|---|---|
| P4/nmm (No. 129) | tetragonal | 0.00 | 0.2893 | -13.213 | 4.88 |
| P42/mnm (No. 136) | tetragonal | 0.00 | 0.3372 | -13.165 | 3.96 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.8687 | -12.633 | 4.60 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 2.76 |
| R32 (No. 155) | Trigonal | — | — | — | 5.04 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.65 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.72 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.20 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.38 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.32 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.74 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.57 |
Uses
Applications
Where InS2 is used.
Photovoltaic researchOptoelectronic device developmentSemiconductor material studies
Reference
Frequently Asked Questions
Common questions about InS2, answered from cross-validated data.
What is InS2?
Indium disulfide is a semiconductor material composed of indium and sulfur. It is primarily studied for its potential utility in optoelectronic devices and thin-film solar cell technologies.
More questions
What is InS2 used for?
InS2 is used in photovoltaic research, optoelectronic device development, and semiconductor material studies.
What is the band gap of InS2?
InS2 is computed to be metallic (no band gap) in the reported DFT structures.
Is InS2 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is InS2 thermodynamically stable?
InS2 has a lowest energy above hull of 0.289 eV/atom (above hull).
What is the crystal structure of InS2?
The lowest-energy reported polymorph of InS2 is tetragonal symmetry, space group P4/nmm (No. 129).
What is the density of InS2?
The computed density of the ground-state structure of InS2 is 4.88 g/cm³.
How many polymorphs of InS2 are known?
93 structures of InS2 are reported across 4 databases, spanning 18 distinct space groups.
What elements does InS2 contain?
InS2 contains In and S (2 elements).
Where does the data for InS2 come from?
InS2 data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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