Be2Bi2La6S14
Be2Bi2La6S14 is a complex semiconducting sulfide compound composed of beryllium, bismuth, lanthanum, and sulfur.
About Be2Bi2La6S14
Be2Bi2La6S14 is a complex quaternary sulfide containing beryllium, bismuth, lanthanum, and sulfur. As a semiconducting material, it represents a specialized composition within the broader landscape of rare-earth chalcogenides, characterized by its intricate atomic arrangement.
While this compound is currently identified as being above the thermodynamic hull, its existence across multiple structural databases highlights its significance in exploratory materials science. It serves as an intriguing subject for investigating the interplay between heavy elements and light alkaline earth metals in sulfide frameworks.
Key Properties
Cross-validated computational properties for Be2Bi2La6S14, 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 Be2Bi2La6S14, 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. |
|---|---|---|---|---|---|
| P63 (No. 173) | hexagonal | 1.62 | 0.1125 | -6.081 | 4.93 |
| P63 (No. 173) | — | — | — | — | — |
| P63 (No. 173) | — | — | — | — | — |
Applications
Where Be2Bi2La6S14 is used.
Frequently Asked Questions
Common questions about Be2Bi2La6S14, answered from cross-validated data.
What is Be2Bi2La6S14?
Be2Bi2La6S14 is a complex semiconducting sulfide compound composed of beryllium, bismuth, lanthanum, and sulfur.
What is Be2Bi2La6S14 used for?
What is the band gap of Be2Bi2La6S14?
Is Be2Bi2La6S14 a metal, semiconductor, or insulator?
Is Be2Bi2La6S14 thermodynamically stable?
What is the crystal structure of Be2Bi2La6S14?
What is the density of Be2Bi2La6S14?
How many polymorphs of Be2Bi2La6S14 are known?
What elements does Be2Bi2La6S14 contain?
Where does the data for Be2Bi2La6S14 come from?
How It Compares
As a unique quaternary sulfide, Be2Bi2La6S14 represents a specific structural niche in materials science where data remains sparse. Unlike more common binary or ternary sulfides, this compound occupies a specialized position, serving as a primary case study for the synthesis and stability of complex, multi-element chalcogenide systems.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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