Ba4In2Se10Y2
Ba4In2Se10Y2 is a semiconducting quaternary selenide that is considered a viable candidate for experimental synthesis.
About Ba4In2Se10Y2
Ba4In2Se10Y2 is a complex quaternary selenide composed of barium, indium, selenium, and yttrium. As a semiconducting material, it exhibits electronic properties characteristic of chalcogenide frameworks that are often explored for their potential in optoelectronic or thermoelectric applications.
This compound is recognized as a near-hull phase, indicating that it is thermodynamically stable enough to be a target for experimental synthesis. Its structural complexity and composition place it within a specialized category of multinary inorganic materials currently being mapped in materials databases.
Key Properties
Cross-validated computational properties for Ba4In2Se10Y2, 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 Ba4In2Se10Y2, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 1.18 | 0.0066 | -5.277 | 5.18 |
| No. 0 | unknown | — | — | — | 1.37 |
| Cmc21 (No. 36) | — | — | — | — | — |
Applications
Where Ba4In2Se10Y2 is used.
Frequently Asked Questions
Common questions about Ba4In2Se10Y2, answered from cross-validated data.
What is Ba4In2Se10Y2?
Ba4In2Se10Y2 is a semiconducting quaternary selenide that is considered a viable candidate for experimental synthesis.
What is Ba4In2Se10Y2 used for?
What is the band gap of Ba4In2Se10Y2?
Is Ba4In2Se10Y2 a metal, semiconductor, or insulator?
Is Ba4In2Se10Y2 thermodynamically stable?
What is the crystal structure of Ba4In2Se10Y2?
What is the density of Ba4In2Se10Y2?
How many polymorphs of Ba4In2Se10Y2 are known?
What elements does Ba4In2Se10Y2 contain?
Where does the data for Ba4In2Se10Y2 come from?
How It Compares
As a unique quaternary selenide, Ba4In2Se10Y2 represents a specific structural arrangement within the broader family of complex chalcogenides. While it lacks direct siblings in this specific dataset, it serves as a representative example of how combining rare-earth elements like yttrium with main-group metals can yield stable, semiconducting frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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