B4Rb4S12
B4Rb4S12 is a stable, semiconducting crystalline compound composed of boron, rubidium, and sulfur.
About B4Rb4S12
B4Rb4S12 is a complex ternary chalcogenide composed of boron, rubidium, and sulfur. As a thermodynamically stable material situated on the convex hull, it represents a robust phase within its chemical system, offering structural integrity for advanced materials research.
This compound exhibits semiconducting electronic character, making it an intriguing candidate for investigations into electronic and optoelectronic applications. Its existence across multiple databases underscores its significance as a well-defined crystalline phase in solid-state chemistry.
Key Properties
Cross-validated computational properties for B4Rb4S12, 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 B4Rb4S12, 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 | 2.41 | 0.0000 | -5.032 | 2.67 |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 2.61 |
Applications
Where B4Rb4S12 is used.
Frequently Asked Questions
Common questions about B4Rb4S12, answered from cross-validated data.
What is B4Rb4S12?
B4Rb4S12 is a stable, semiconducting crystalline compound composed of boron, rubidium, and sulfur.
What is B4Rb4S12 used for?
What is the band gap of B4Rb4S12?
Is B4Rb4S12 a metal, semiconductor, or insulator?
Is B4Rb4S12 thermodynamically stable?
What is the crystal structure of B4Rb4S12?
What is the density of B4Rb4S12?
How many polymorphs of B4Rb4S12 are known?
What elements does B4Rb4S12 contain?
Where does the data for B4Rb4S12 come from?
How It Compares
As a distinct ternary phase, B4Rb4S12 occupies a unique position in the landscape of boron-sulfur-based compounds. While it lacks direct structural siblings in this specific classification, its thermodynamic stability distinguishes it as a reliable reference point for exploring the broader properties of alkali metal borosulfides.
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).
Analyze B4Rb4S12 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →