CsInSe2
CsInSe2 is a thermodynamically stable semiconducting compound composed of cesium, indium, and selenium.
About CsInSe2
CsInSe2 is a ternary selenide characterized by its semiconducting electronic nature. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of cesium, indium, and selenium atoms that maintains integrity under standard conditions. The material is of significant interest in materials science due to its well-defined crystalline configurations. Its stability and semiconducting behavior make it a candidate for fundamental studies into chalcogenide-based electronic components and potential optoelectronic applications.
Key Properties
Cross-validated computational properties for CsInSe2, 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.
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.
Reported Structures
Lowest-energy structures reported for CsInSe2, 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 | 1.63 | 0.0000 | -20.231 | 4.63 |
| Pna21 (No. 33) | — | — | — | — | — |
| — | — | — | — | — | 5.69 |
Applications
Where CsInSe2 is used.
Frequently Asked Questions
Common questions about CsInSe2, answered from cross-validated data.
What is CsInSe2?
CsInSe2 is a thermodynamically stable semiconducting compound composed of cesium, indium, and selenium.
What is CsInSe2 used for?
What is the band gap of CsInSe2?
Is CsInSe2 a metal, semiconductor, or insulator?
Is CsInSe2 thermodynamically stable?
What is the crystal structure of CsInSe2?
What is the density of CsInSe2?
How many polymorphs of CsInSe2 are known?
What elements does CsInSe2 contain?
Where does the data for CsInSe2 come from?
How It Compares
As a member of the ternary selenide family, CsInSe2 serves as a foundational example of how alkali metal incorporation influences the structural stability of indium-based chalcogenides. It occupies a distinct position in the landscape of semiconducting materials, providing a stable platform for exploring the electronic properties inherent to its specific atomic arrangement.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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