As4Ba4Se10
As4Ba4Se10 is a stable, semiconducting crystalline compound composed of arsenic, barium, and selenium.
About As4Ba4Se10
As4Ba4Se10 is a complex quaternary chalcogenide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline arrangement within the arsenic-barium-selenium system.
This material is of interest to researchers investigating novel semiconductors with unique structural motifs. Its stability suggests potential for synthesis and integration into experimental electronic or optoelectronic device architectures.
Key Properties
Cross-validated computational properties for As4Ba4Se10, 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 As4Ba4Se10, 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. |
|---|---|---|---|---|---|
| P21 (No. 4) | monoclinic | 1.16 | 0.0000 | -4.701 | 4.98 |
| — | — | — | — | — | 4.62 |
| P21 (No. 4) | monoclinic | — | — | — | 2.59 |
Applications
Where As4Ba4Se10 is used.
Frequently Asked Questions
Common questions about As4Ba4Se10, answered from cross-validated data.
What is As4Ba4Se10?
As4Ba4Se10 is a stable, semiconducting crystalline compound composed of arsenic, barium, and selenium.
What is As4Ba4Se10 used for?
What is the band gap of As4Ba4Se10?
Is As4Ba4Se10 a metal, semiconductor, or insulator?
Is As4Ba4Se10 thermodynamically stable?
What is the crystal structure of As4Ba4Se10?
What is the density of As4Ba4Se10?
How many polymorphs of As4Ba4Se10 are known?
What elements does As4Ba4Se10 contain?
Where does the data for As4Ba4Se10 come from?
How It Compares
As a distinct member of the arsenic-barium-selenium family, As4Ba4Se10 serves as a primary example of how these elements can organize into stable, semiconducting frameworks, providing a benchmark for future exploration of similar quaternary chalcogenide phases.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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