BiRbS4Si
BiRbS4Si is a stable, semiconducting quaternary sulfide compound composed of bismuth, rubidium, sulfur, and silicon.
About BiRbS4Si
BiRbS4Si is a quaternary sulfide compound that exhibits semiconducting electronic behavior. As a material situated on the convex hull, it possesses thermodynamic stability, making it a significant candidate for structural and electronic characterization within complex chalcogenide systems.
This compound represents an interesting intersection of bismuth, rubidium, sulfur, and silicon chemistry. Its stable configuration suggests potential utility in specialized optoelectronic or solid-state applications where precise control over electronic properties is required.
Key Properties
Cross-validated computational properties for BiRbS4Si, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of BiRbS4Si. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for BiRbS4Si, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for BiRbS4Si, 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/c (No. 14) | monoclinic | 2.08 | 0.0000 | -4.920 | 3.81 |
| P21/c (No. 14) | monoclinic | — | — | — | — |
| P21/c (No. 14) | monoclinic | — | — | — | 4.02 |
Applications
Where BiRbS4Si is used.
Frequently Asked Questions
Common questions about BiRbS4Si, answered from cross-validated data.
What is BiRbS4Si?
BiRbS4Si is a stable, semiconducting quaternary sulfide compound composed of bismuth, rubidium, sulfur, and silicon.
What is BiRbS4Si used for?
What is the band gap of BiRbS4Si?
Is BiRbS4Si a metal, semiconductor, or insulator?
Is BiRbS4Si thermodynamically stable?
What is the crystal structure of BiRbS4Si?
What is the density of BiRbS4Si?
How many polymorphs of BiRbS4Si are known?
What elements does BiRbS4Si contain?
Where does the data for BiRbS4Si come from?
How It Compares
As a unique quaternary sulfide, BiRbS4Si serves as a distinct entry point for exploring the chemical space of complex chalcogenides, offering a stable framework that contrasts with more volatile or metastable compositions in the broader class of quaternary sulfides.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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