RbNO2
rubidium nitrite
Rubidium nitrite is a stable, semiconducting inorganic salt composed of rubidium, nitrogen, and oxygen.
About rubidium nitrite
Rubidium nitrite is a thermodynamically stable inorganic compound that exhibits semiconducting electronic characteristics. Its structural integrity is well-documented, with multiple reported configurations across crystallographic databases, reflecting its significance in fundamental materials research.
As a member of the alkali metal nitrite family, this compound serves as a critical subject for studying ionic lattice stability and electronic behavior in solid-state chemistry. It is utilized primarily in specialized laboratory settings where the specific reactivity of the nitrite anion paired with the rubidium cation is required.
Key Properties
Cross-validated computational properties for rubidium nitrite, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of RbNO2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for RbNO2, 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. |
|---|---|---|---|---|---|
| — | — | 2.41 | 0.0000 | -1.181 | — |
| P3121 (No. 152) | trigonal | 2.35 | 0.0000 | -1.010 | — |
| P3121 (No. 152) | trigonal | 2.32 | 0.0117 | -6.060 | 3.18 |
| — | — | 2.34 | 0.0227 | -1.159 | — |
| — | — | 2.22 | 0.0238 | -1.158 | — |
| — | — | 2.42 | 0.0429 | -1.138 | — |
| — | — | 0.00 | 2.7406 | 1.559 | — |
| P3121 (No. 152) | trigonal | — | — | — | 3.07 |
| P3121 (No. 152) | trigonal | — | — | — | 2.98 |
| P3121 (No. 152) | trigonal | — | — | — | 2.96 |
Applications
Where rubidium nitrite is used.
Frequently Asked Questions
Common questions about rubidium nitrite, answered from cross-validated data.
What is RbNO2?
Rubidium nitrite is a stable, semiconducting inorganic salt composed of rubidium, nitrogen, and oxygen.
What is RbNO2 used for?
What is the band gap of RbNO2?
Is RbNO2 a metal, semiconductor, or insulator?
Is RbNO2 thermodynamically stable?
What is the crystal structure of RbNO2?
How many polymorphs of RbNO2 are known?
What elements does RbNO2 contain?
Where does the data for RbNO2 come from?
How It Compares
As a distinct alkali metal nitrite, this compound represents a key point of study for understanding the structural trends and thermodynamic stability inherent in this chemical group, serving as a foundational reference for related nitrate and nitrite salts.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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