Rb3HoO3
This compound is a ternary oxide containing rubidium, holmium, and oxygen. It is primarily studied in solid-state chemistry research for its structural properties and coordination chemistry.
HoORb
Overview
Key Properties
Cross-validated computational properties for Rb3HoO3, 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.
2.01–2.13 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.
0.007 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.
11
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Rb3HoO3, 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 | 2.13 | 0.0069 | -5.421 | 4.71 |
| C2/m (No. 12) | monoclinic | 2.01 | 0.0170 | -5.410 | 4.70 |
| P21/c (No. 14) | monoclinic | 2.12 | 0.0248 | -5.403 | 4.17 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.17 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.30 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.29 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.49 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.66 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.65 |
| P21/c (No. 14) | — | — | — | — | — |
Uses
Applications
Where Rb3HoO3 is used.
Solid-state chemistry researchMaterials science studies
Reference
Frequently Asked Questions
Common questions about Rb3HoO3, answered from cross-validated data.
What is Rb3HoO3?
This compound is a ternary oxide containing rubidium, holmium, and oxygen. It is primarily studied in solid-state chemistry research for its structural properties and coordination chemistry.
More questions
What is Rb3HoO3 used for?
Rb3HoO3 is used in solid-state chemistry research and materials science studies.
What is the band gap of Rb3HoO3?
Rb3HoO3 has a DFT-computed band gap of 2.01–2.13 eV across 11 reported structures.
Is Rb3HoO3 a metal, semiconductor, or insulator?
With a band gap up to 2.13 eV it is a semiconductor.
Is Rb3HoO3 thermodynamically stable?
Rb3HoO3 has a lowest energy above hull of 0.007 eV/atom (near hull (likely stable)).
What is the crystal structure of Rb3HoO3?
The lowest-energy reported polymorph of Rb3HoO3 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Rb3HoO3?
The computed density of the ground-state structure of Rb3HoO3 is 4.71 g/cm³.
How many polymorphs of Rb3HoO3 are known?
11 structures of Rb3HoO3 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Rb3HoO3 contain?
Rb3HoO3 contains Ho, O, and Rb (3 elements).
Where does the data for Rb3HoO3 come from?
Rb3HoO3 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).
Analyze Rb3HoO3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →