Rb2ZrO3
Rubidium zirconate is a ceramic oxide material primarily studied for its potential in advanced energy and chemical processing applications. It is often investigated for its role in high-temperature carbon dioxide capture and as a precursor in the synthesis of specialized functional materials.
Key Properties
Cross-validated computational properties for Rb2ZrO3, 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.
Reported Structures
Lowest-energy structures reported for Rb2ZrO3, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 3.54 | 0.0000 | -6.976 | 4.39 |
| Cmc21 (No. 36) | orthorhombic | 3.54 | 0.0002 | -6.976 | 4.39 |
| Cc (No. 9) | monoclinic | 3.13 | 0.0275 | -6.949 | 3.96 |
| Cmce (No. 64) | orthorhombic | 3.28 | 0.0588 | -6.917 | 3.67 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.20 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.45 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.31 |
| Cmce (No. 64) | Orthorhombic | — | — | — | 3.67 |
| Cmce (No. 64) | Orthorhombic | — | — | — | 3.90 |
| Cmce (No. 64) | Orthorhombic | — | — | — | 3.76 |
| Cc (No. 9) | Monoclinic | — | — | — | 4.07 |
| Cmc21 (No. 36) | — | — | — | — | — |
Applications
Where Rb2ZrO3 is used.
Frequently Asked Questions
Common questions about Rb2ZrO3, answered from cross-validated data.
What is Rb2ZrO3?
Rubidium zirconate is a ceramic oxide material primarily studied for its potential in advanced energy and chemical processing applications. It is often investigated for its role in high-temperature carbon dioxide capture and as a precursor in the synthesis of specialized functional materials.
What is Rb2ZrO3 used for?
What is the band gap of Rb2ZrO3?
Is Rb2ZrO3 a metal, semiconductor, or insulator?
Is Rb2ZrO3 thermodynamically stable?
What is the crystal structure of Rb2ZrO3?
What is the density of Rb2ZrO3?
How many polymorphs of Rb2ZrO3 are known?
What elements does Rb2ZrO3 contain?
Where does the data for Rb2ZrO3 come from?
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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