Be2Ga2La6S14
Be2Ga2La6S14 is a thermodynamically stable semiconducting quaternary sulfide compound.
About Be2Ga2La6S14
Be2Ga2La6S14 is a complex quaternary sulfide compound that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement of beryllium, gallium, lanthanum, and sulfur atoms.
This material is a subject of interest in solid-state chemistry due to its unique atomic configuration. Its stability suggests potential for specialized applications where reliable structural integrity is required in a semiconductor system.
Key Properties
Cross-validated computational properties for Be2Ga2La6S14, 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 Be2Ga2La6S14, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 2.82 | 0.0000 | -15.396 | 4.33 |
| P63 (No. 173) | hexagonal | 2.09 | 0.0791 | -6.118 | 4.46 |
| P63 (No. 173) | hexagonal | 1.12 | 0.0820 | -6.115 | 4.40 |
| P63 (No. 173) | — | — | — | — | — |
| — | — | — | — | — | 3.01 |
Applications
Where Be2Ga2La6S14 is used.
Frequently Asked Questions
Common questions about Be2Ga2La6S14, answered from cross-validated data.
What is Be2Ga2La6S14?
Be2Ga2La6S14 is a thermodynamically stable semiconducting quaternary sulfide compound.
What is Be2Ga2La6S14 used for?
What is the band gap of Be2Ga2La6S14?
Is Be2Ga2La6S14 a metal, semiconductor, or insulator?
Is Be2Ga2La6S14 thermodynamically stable?
What is the crystal structure of Be2Ga2La6S14?
What is the density of Be2Ga2La6S14?
How many polymorphs of Be2Ga2La6S14 are known?
What elements does Be2Ga2La6S14 contain?
Where does the data for Be2Ga2La6S14 come from?
How It Compares
As a distinct quaternary sulfide, Be2Ga2La6S14 serves as a unique entry in the landscape of complex chalcogenides. Without direct structural siblings in this specific class, it stands as a specialized example of how beryllium and gallium can be integrated into a lanthanum-sulfur framework to maintain thermodynamic stability.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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