Rb2Cr2O7
Rubidium dichromate
Rubidium dichromate is an inorganic salt composed of rubidium, chromium, and oxygen. It is primarily used as a laboratory reagent in chemical synthesis and research applications.
Overview
Key Properties
Cross-validated computational properties for Rubidium dichromate, aggregated across 4 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.
2.71–2.79 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.
12
4 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Rb2Cr2O7, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 2.77 | 0.0000 | -7.017 | 3.31 |
| P21/c (No. 14) | monoclinic | 2.79 | 0.0012 | -7.016 | 3.24 |
| P-1 (No. 2) | triclinic | 2.71 | 0.0038 | -7.013 | 3.01 |
| P-1 (No. 2) | triclinic | 2.71 | 0.0045 | -7.013 | 3.33 |
| No. 0 | unknown | — | — | — | 1.65 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.05 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.26 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.11 |
| P-1 (No. 2) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.07 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.01 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.22 |
Uses
Applications
Where Rubidium dichromate is used.
Chemical synthesisLaboratory researchOxidizing agent
Reference
Frequently Asked Questions
Common questions about Rubidium dichromate, answered from cross-validated data.
What is Rb2Cr2O7?
Rubidium dichromate is an inorganic salt composed of rubidium, chromium, and oxygen. It is primarily used as a laboratory reagent in chemical synthesis and research applications.
More questions
What is Rb2Cr2O7 used for?
Rubidium dichromate (Rb2Cr2O7) is used in chemical synthesis, laboratory research, and oxidizing agent.
What is the band gap of Rb2Cr2O7?
Rubidium dichromate (Rb2Cr2O7) has a DFT-computed band gap of 2.71–2.79 eV across 12 reported structures.
Is Rb2Cr2O7 a metal, semiconductor, or insulator?
With a band gap up to 2.79 eV it is a semiconductor.
Is Rb2Cr2O7 thermodynamically stable?
Yes — Rubidium dichromate (Rb2Cr2O7) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Rb2Cr2O7?
The lowest-energy reported polymorph of Rubidium dichromate (Rb2Cr2O7) is monoclinic symmetry, space group C2/c (No. 15).
What is the density of Rb2Cr2O7?
The computed density of the ground-state structure of Rubidium dichromate (Rb2Cr2O7) is 3.31 g/cm³.
How many polymorphs of Rb2Cr2O7 are known?
12 structures of Rb2Cr2O7 are reported across 4 databases, spanning 4 distinct space groups.
What elements does Rb2Cr2O7 contain?
Rubidium dichromate (Rb2Cr2O7) contains Cr, O, and Rb (3 elements).
Where does the data for Rb2Cr2O7 come from?
Rb2Cr2O7 data is cross-referenced from materials_project, cod, mpaloe, jarvis.
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Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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