Rb2Sb4S7
Rb2Sb4S7 is a stable semiconducting compound composed of rubidium, antimony, and sulfur.
About Rb2Sb4S7
Rb2Sb4S7 is a semiconducting ternary sulfide that maintains a thermodynamically stable position on the convex hull. Its structural integrity and electronic nature make it a compelling subject for researchers investigating complex chalcogenide systems.
This compound is characterized by its significant structural diversity, as evidenced by its multiple reported configurations across various databases. Its stability and semiconducting behavior suggest potential utility in specialized optoelectronic or solid-state device research.
Key Properties
Cross-validated computational properties for Rb2Sb4S7, 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 Rb2Sb4S7. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Rb2Sb4S7, 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. |
|---|---|---|---|---|---|
| — | — | 1.93 | 0.0000 | -0.716 | — |
| P-1 (No. 2) | triclinic | 1.83 | 0.0000 | -4.472 | 3.52 |
| P21/c (No. 14) | monoclinic | 1.38 | 0.0096 | -0.636 | — |
| P21/c (No. 14) | monoclinic | 1.21 | 0.0104 | -4.461 | 3.88 |
| P-1 (No. 2) | triclinic | 1.88 | 0.0111 | -0.634 | — |
| — | — | 1.36 | 0.0113 | -0.704 | — |
| P21/c (No. 14) | monoclinic | — | — | — | 3.97 |
| P-1 (No. 2) | triclinic | — | — | — | 3.53 |
| P21/c (No. 14) | monoclinic | — | — | — | 3.80 |
| P-1 (No. 2) | triclinic | — | — | — | 3.48 |
| P21/c (No. 14) | monoclinic | — | — | — | 3.75 |
| P21/c (No. 14) | monoclinic | — | — | — | 3.68 |
Applications
Where Rb2Sb4S7 is used.
Frequently Asked Questions
Common questions about Rb2Sb4S7, answered from cross-validated data.
What is Rb2Sb4S7?
Rb2Sb4S7 is a stable semiconducting compound composed of rubidium, antimony, and sulfur.
What is Rb2Sb4S7 used for?
What is the band gap of Rb2Sb4S7?
Is Rb2Sb4S7 a metal, semiconductor, or insulator?
Is Rb2Sb4S7 thermodynamically stable?
What is the crystal structure of Rb2Sb4S7?
How many polymorphs of Rb2Sb4S7 are known?
What elements does Rb2Sb4S7 contain?
Where does the data for Rb2Sb4S7 come from?
How It Compares
As a distinct ternary sulfide, Rb2Sb4S7 represents a stable member of the broader class of alkali metal antimony chalcogenides, serving as a foundational example of how these elements combine to form robust semiconducting frameworks.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze Rb2Sb4S7 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →