Rb6Br4O
Rb6Br4O is a stable, semiconducting inorganic compound composed of rubidium, bromine, and oxygen.
About Rb6Br4O
Rb6Br4O is a complex inorganic compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a well-defined structural arrangement of rubidium, bromine, and oxygen atoms.
This material is notable for its structural diversity, supported by multiple entries across major materials databases. Its stability suggests potential for specialized applications where specific electronic properties are required in a solid-state framework.
Key Properties
Cross-validated computational properties for Rb6Br4O, 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 Rb6Br4O. 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 Rb6Br4O, 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. |
|---|---|---|---|---|---|
| — | — | 1.68 | 0.0000 | -1.712 | — |
| R-3c (No. 167) | trigonal | 1.63 | 0.0000 | -1.695 | — |
| R-3c (No. 167) | trigonal | 1.54 | 0.1726 | -3.192 | 3.43 |
| R-3c (No. 167) | trigonal | — | — | — | 3.47 |
| R-3c (No. 167) | trigonal | — | — | — | 3.40 |
| R-3c (No. 167) | trigonal | — | — | — | 3.26 |
| R-3c (No. 167) | trigonal | — | — | — | 3.34 |
Applications
Where Rb6Br4O is used.
Frequently Asked Questions
Common questions about Rb6Br4O, answered from cross-validated data.
What is Rb6Br4O?
Rb6Br4O is a stable, semiconducting inorganic compound composed of rubidium, bromine, and oxygen.
What is Rb6Br4O used for?
What is the band gap of Rb6Br4O?
Is Rb6Br4O a metal, semiconductor, or insulator?
Is Rb6Br4O thermodynamically stable?
What is the crystal structure of Rb6Br4O?
How many polymorphs of Rb6Br4O are known?
What elements does Rb6Br4O contain?
Where does the data for Rb6Br4O come from?
How It Compares
As a unique inorganic phase, Rb6Br4O occupies a distinct position in materials research, serving as a reference point for complex rubidium-based halides and oxides. Its stability and semiconducting behavior distinguish it from simpler binary salts, highlighting the structural complexity achievable in multi-element systems.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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