Rb7Au5O2
This is a complex ternary oxide containing rubidium, gold, and oxygen. It is primarily studied in solid-state chemistry research to understand the structural and electronic properties of alkali metal aurates.
AuORb
Overview
Key Properties
Cross-validated computational properties for Rb7Au5O2, 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.
0.63 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Rb7Au5O2, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.63 | 0.0000 | -3.060 | 6.10 |
| Immm (No. 71) | Orthorhombic | — | — | — | 5.73 |
| Immm (No. 71) | Orthorhombic | — | — | — | 5.96 |
| Immm (No. 71) | Orthorhombic | — | — | — | 5.94 |
| Immm (No. 71) | — | — | — | — | — |
Uses
Applications
Where Rb7Au5O2 is used.
Solid-state chemistry researchFundamental materials science studies
Reference
Frequently Asked Questions
Common questions about Rb7Au5O2, answered from cross-validated data.
What is Rb7Au5O2?
This is a complex ternary oxide containing rubidium, gold, and oxygen. It is primarily studied in solid-state chemistry research to understand the structural and electronic properties of alkali metal aurates.
More questions
What is Rb7Au5O2 used for?
Rb7Au5O2 is used in solid-state chemistry research and fundamental materials science studies.
What is the band gap of Rb7Au5O2?
Rb7Au5O2 has a DFT-computed band gap of 0.63 eV across 5 reported structures.
Is Rb7Au5O2 a metal, semiconductor, or insulator?
With a band gap up to 0.63 eV it is a semiconductor.
Is Rb7Au5O2 thermodynamically stable?
Yes — Rb7Au5O2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Rb7Au5O2?
The lowest-energy reported polymorph of Rb7Au5O2 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Rb7Au5O2?
The computed density of the ground-state structure of Rb7Au5O2 is 6.10 g/cm³.
How many polymorphs of Rb7Au5O2 are known?
5 structures of Rb7Au5O2 are reported across 3 databases, spanning 1 distinct space group.
What elements does Rb7Au5O2 contain?
Rb7Au5O2 contains Au, O, and Rb (3 elements).
Where does the data for Rb7Au5O2 come from?
Rb7Au5O2 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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