Ba8Bi4Ga4Se20
Ba8Bi4Ga4Se20 is a stable, semiconducting quaternary chalcogenide compound composed of barium, bismuth, gallium, and selenium.
About Ba8Bi4Ga4Se20
Ba8Bi4Ga4Se20 is a complex quaternary chalcogenide that exists as a thermodynamically stable phase on the convex hull. Its composition, involving barium, bismuth, gallium, and selenium, points to a sophisticated structural arrangement typical of advanced multinary semiconductors.
As a semiconducting material, it is of significant interest for researchers investigating the interplay between heavy elements and chalcogen frameworks. Its stability suggests it is a robust candidate for further experimental characterization in solid-state chemistry.
Key Properties
Cross-validated computational properties for Ba8Bi4Ga4Se20, 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 Ba8Bi4Ga4Se20, 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 | 1.75 | 0.0000 | -4.631 | 5.59 |
| — | — | — | — | — | 3.15 |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where Ba8Bi4Ga4Se20 is used.
Frequently Asked Questions
Common questions about Ba8Bi4Ga4Se20, answered from cross-validated data.
What is Ba8Bi4Ga4Se20?
Ba8Bi4Ga4Se20 is a stable, semiconducting quaternary chalcogenide compound composed of barium, bismuth, gallium, and selenium.
What is Ba8Bi4Ga4Se20 used for?
What is the band gap of Ba8Bi4Ga4Se20?
Is Ba8Bi4Ga4Se20 a metal, semiconductor, or insulator?
Is Ba8Bi4Ga4Se20 thermodynamically stable?
What is the crystal structure of Ba8Bi4Ga4Se20?
What is the density of Ba8Bi4Ga4Se20?
How many polymorphs of Ba8Bi4Ga4Se20 are known?
What elements does Ba8Bi4Ga4Se20 contain?
Where does the data for Ba8Bi4Ga4Se20 come from?
How It Compares
As a unique quaternary compound, Ba8Bi4Ga4Se20 represents a specialized niche within chalcogenide materials, serving as a stable building block for exploring complex electronic and structural behaviors in multi-element 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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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