Rb3ErO3
This compound is a complex oxide containing rubidium and erbium. It is primarily utilized in solid-state chemistry research to investigate the structural and electronic properties of rare-earth metal oxides.
ErORb
Overview
Key Properties
Cross-validated computational properties for Rb3ErO3, 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.
2.04–2.47 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.
0.005 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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
6
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Rb3ErO3, 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/c (No. 14) | monoclinic | 2.47 | 0.0050 | -5.428 | 4.77 |
| C2/m (No. 12) | monoclinic | 2.04 | 0.0150 | -5.418 | 4.76 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.58 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.70 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.69 |
Uses
Applications
Where Rb3ErO3 is used.
Solid-state chemistry researchMaterials science studies
Reference
Frequently Asked Questions
Common questions about Rb3ErO3, answered from cross-validated data.
What is Rb3ErO3?
This compound is a complex oxide containing rubidium and erbium. It is primarily utilized in solid-state chemistry research to investigate the structural and electronic properties of rare-earth metal oxides.
More questions
What is Rb3ErO3 used for?
Rb3ErO3 is used in solid-state chemistry research and materials science studies.
What is the band gap of Rb3ErO3?
Rb3ErO3 has a DFT-computed band gap of 2.04–2.47 eV across 6 reported structures.
Is Rb3ErO3 a metal, semiconductor, or insulator?
With a band gap up to 2.47 eV it is a semiconductor.
Is Rb3ErO3 thermodynamically stable?
Rb3ErO3 has a lowest energy above hull of 0.005 eV/atom (near hull (likely stable)).
What is the crystal structure of Rb3ErO3?
The lowest-energy reported polymorph of Rb3ErO3 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Rb3ErO3?
The computed density of the ground-state structure of Rb3ErO3 is 4.77 g/cm³.
How many polymorphs of Rb3ErO3 are known?
6 structures of Rb3ErO3 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Rb3ErO3 contain?
Rb3ErO3 contains Er, O, and Rb (3 elements).
Where does the data for Rb3ErO3 come from?
Rb3ErO3 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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