AsCs3Se4
AsCs3Se4 is a thermodynamically stable, semiconducting ternary chalcogenide composed of arsenic, cesium, and selenium.
About AsCs3Se4
AsCs3Se4 is a complex ternary chalcogenide that exhibits semiconducting electronic behavior. As a thermodynamically stable compound residing on the convex hull, it represents a robust structural arrangement of arsenic, cesium, and selenium elements.
This material is of interest to researchers investigating the fundamental properties of alkali-metal pnictogen-chalcogenides. Its stability and electronic characteristics make it a subject of study for those exploring new semiconductor architectures and solid-state chemistry.
Key Properties
Cross-validated computational properties for AsCs3Se4, 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 AsCs3Se4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 1.24 | 0.0000 | -3.743 | 4.15 |
| — | — | — | — | — | 3.87 |
| — | — | — | — | — | — |
Applications
Where AsCs3Se4 is used.
Frequently Asked Questions
Common questions about AsCs3Se4, answered from cross-validated data.
What is AsCs3Se4?
AsCs3Se4 is a thermodynamically stable, semiconducting ternary chalcogenide composed of arsenic, cesium, and selenium.
What is AsCs3Se4 used for?
What is the band gap of AsCs3Se4?
Is AsCs3Se4 a metal, semiconductor, or insulator?
Is AsCs3Se4 thermodynamically stable?
What is the crystal structure of AsCs3Se4?
What is the density of AsCs3Se4?
How many polymorphs of AsCs3Se4 are known?
What elements does AsCs3Se4 contain?
Where does the data for AsCs3Se4 come from?
How It Compares
As a ternary compound, AsCs3Se4 occupies a unique position within the broader landscape of chalcogenide materials, serving as a stable representative of complex alkali-metal-based semiconductor systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- alexandria — Data from alexandria.
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