Au2Rb2S2
Au2Rb2S2 is a thermodynamically stable semiconducting compound containing gold, rubidium, and sulfur.
About Au2Rb2S2
Au2Rb2S2 is a complex ternary sulfide composed of gold, rubidium, and sulfur. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions.
The material exhibits semiconducting electronic behavior, making it an intriguing subject for research into specialized chalcogenide systems. Its existence across multiple structural databases highlights its significance as a well-defined compound within the broader landscape of gold-based sulfur chemistry.
Key Properties
Cross-validated computational properties for Au2Rb2S2, 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 Au2Rb2S2, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 1.99 | 0.0000 | -3.725 | 5.74 |
| Cmcm (No. 63) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Au2Rb2S2, answered from cross-validated data.
What is Au2Rb2S2?
Au2Rb2S2 is a thermodynamically stable semiconducting compound containing gold, rubidium, and sulfur.
What is the band gap of Au2Rb2S2?
Is Au2Rb2S2 a metal, semiconductor, or insulator?
Is Au2Rb2S2 thermodynamically stable?
What is the crystal structure of Au2Rb2S2?
What is the density of Au2Rb2S2?
How many polymorphs of Au2Rb2S2 are known?
What elements does Au2Rb2S2 contain?
Where does the data for Au2Rb2S2 come from?
How It Compares
As a distinct ternary sulfide, Au2Rb2S2 serves as a foundational example of how alkali metals and noble metals can integrate into stable semiconducting frameworks. While it represents a unique structural niche, it provides a critical reference point for understanding the bonding interactions and stability trends observed in similar multi-element chalcogenide materials.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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