In2Se3
indium selenide · indium(III) selenide
In2Se3 is a stable semiconducting compound of indium and selenium widely researched for its diverse structural phases and potential in electronic device applications.
About indium selenide
Indium selenide is a semiconducting material known for its robust thermodynamic stability. It exists in numerous structural configurations, reflecting a high degree of complexity that makes it a subject of significant interest in materials science research. Its ability to maintain stability across various phases allows for diverse experimental investigations into its physical properties.
This compound is primarily utilized in the development of next-generation optoelectronic devices and thin-film technologies. Because it sits on the convex hull, it serves as a reliable candidate for applications requiring consistent electronic performance and structural integrity under operational conditions.
Key Properties
Cross-validated computational properties for indium selenide, aggregated across 7 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of In2Se3. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for In2Se3, 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 | 0.99 | 0.0000 | -18.305 | 5.19 |
| — | — | 0.96 | 0.0000 | -0.532 | — |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.0000 | -0.480 | — |
| — | — | 0.49 | 0.0023 | -0.529 | — |
| — | — | 0.33 | 0.0169 | -0.515 | — |
| P-3m1 (No. 164) | trigonal | 0.10 | 0.0384 | -18.267 | 5.74 |
| — | — | 0.17 | 0.0444 | -0.487 | — |
| — | — | 0.49 | 0.0445 | -0.487 | — |
| — | — | 0.00 | 0.0521 | -0.480 | — |
| — | — | 0.00 | 0.0646 | -0.467 | — |
| — | — | 0.00 | 0.2098 | -0.322 | — |
| R3m (No. 160) | trigonal | 0.00 | 0.2484 | -0.232 | — |
Applications
Where indium selenide is used.
Frequently Asked Questions
Common questions about indium selenide, answered from cross-validated data.
What is In2Se3?
In2Se3 is a stable semiconducting compound of indium and selenium widely researched for its diverse structural phases and potential in electronic device applications.
What is In2Se3 used for?
What is the band gap of In2Se3?
Is In2Se3 a metal, semiconductor, or insulator?
Is In2Se3 thermodynamically stable?
What is the crystal structure of In2Se3?
What is the density of In2Se3?
How many polymorphs of In2Se3 are known?
What elements does In2Se3 contain?
Where does the data for In2Se3 come from?
How It Compares
As a highly studied and thermodynamically stable semiconductor, this compound represents a foundational material within the broader family of indium-chalcogenide systems, serving as a benchmark for structural and electronic characterization in the field.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- aflow — Data from AFLOW (aflow.org). Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012). (CC-BY-4.0)
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