Rb4CO4
Rubidium orthocarbonate is an inorganic salt composed of rubidium, carbon, and oxygen. It is primarily studied in academic research settings as part of investigations into alkali metal carbonate chemistry and high-pressure synthesis.
CORb
Overview
Key Properties
Cross-validated computational properties for Rb4CO4, 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.
0.38–1.84 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.
0.196 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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
28
3 databases, 11 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Rb4CO4, 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. |
|---|---|---|---|---|---|
| P21 (No. 4) | monoclinic | 1.58 | 0.1957 | -5.232 | 3.97 |
| I222 (No. 23) | orthorhombic | 1.54 | 0.2005 | -5.227 | 3.71 |
| I-42m (No. 121) | tetragonal | 0.95 | 0.2025 | -5.225 | 3.10 |
| C2 (No. 5) | monoclinic | 1.44 | 0.2040 | -5.224 | 3.70 |
| I-42m (No. 121) | tetragonal | 1.75 | 0.2070 | -5.221 | 3.75 |
| Cm (No. 8) | monoclinic | 1.12 | 0.2226 | -5.205 | 3.36 |
| P-4 (No. 81) | tetragonal | 0.95 | 0.2550 | -5.173 | 3.19 |
| Cm (No. 8) | monoclinic | 0.51 | 0.2568 | -5.171 | 3.14 |
| P-43m (No. 215) | cubic | 1.84 | 0.2644 | -5.163 | 3.62 |
| R3 (No. 146) | trigonal | 1.74 | 0.2649 | -5.163 | 3.56 |
| R3m (No. 160) | trigonal | 0.38 | 0.2891 | -5.139 | 3.42 |
| Amm2 (No. 38) | orthorhombic | 0.00 | 0.7474 | -4.680 | 4.15 |
Uses
Applications
Where Rb4CO4 is used.
Academic researchInorganic synthesis studies
Reference
Frequently Asked Questions
Common questions about Rb4CO4, answered from cross-validated data.
What is Rb4CO4?
Rubidium orthocarbonate is an inorganic salt composed of rubidium, carbon, and oxygen. It is primarily studied in academic research settings as part of investigations into alkali metal carbonate chemistry and high-pressure synthesis.
More questions
What is Rb4CO4 used for?
Rb4CO4 is used in academic research and inorganic synthesis studies.
What is the band gap of Rb4CO4?
Rb4CO4 has a DFT-computed band gap of 0.38–1.84 eV across 28 reported structures.
Is Rb4CO4 a metal, semiconductor, or insulator?
With a band gap up to 1.84 eV it is a semiconductor.
Is Rb4CO4 thermodynamically stable?
Rb4CO4 has a lowest energy above hull of 0.196 eV/atom (above hull).
What is the crystal structure of Rb4CO4?
The lowest-energy reported polymorph of Rb4CO4 is monoclinic symmetry, space group P21 (No. 4).
What is the density of Rb4CO4?
The computed density of the ground-state structure of Rb4CO4 is 3.97 g/cm³.
How many polymorphs of Rb4CO4 are known?
28 structures of Rb4CO4 are reported across 3 databases, spanning 11 distinct space groups.
What elements does Rb4CO4 contain?
Rb4CO4 contains C, O, and Rb (3 elements).
Where does the data for Rb4CO4 come from?
Rb4CO4 data is cross-referenced from materials_project, jarvis, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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