Na2O12Rb14Zn4
Na2O12Rb14Zn4 is a thermodynamically stable, semiconducting complex oxide composed of sodium, rubidium, zinc, and oxygen.
About Na2O12Rb14Zn4
Na2O12Rb14Zn4 is a complex oxide featuring a unique arrangement of sodium, rubidium, zinc, and oxygen. As a thermodynamically stable compound residing on the convex hull, it represents a robust structural configuration that has been identified across multiple crystallographic databases.
This material exhibits semiconducting electronic character, positioning it as a subject of interest for researchers exploring specialized electronic properties in multi-component oxides. Its specific stoichiometry and atomic coordination make it a distinctive candidate for fundamental studies into complex inorganic frameworks.
Key Properties
Cross-validated computational properties for Na2O12Rb14Zn4, 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 Na2O12Rb14Zn4, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.57 | 0.0000 | -3.977 | 3.94 |
| — | — | — | — | — | 3.93 |
| P-1 (No. 2) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Na2O12Rb14Zn4, answered from cross-validated data.
What is Na2O12Rb14Zn4?
Na2O12Rb14Zn4 is a thermodynamically stable, semiconducting complex oxide composed of sodium, rubidium, zinc, and oxygen.
What is the band gap of Na2O12Rb14Zn4?
Is Na2O12Rb14Zn4 a metal, semiconductor, or insulator?
Is Na2O12Rb14Zn4 thermodynamically stable?
What is the crystal structure of Na2O12Rb14Zn4?
What is the density of Na2O12Rb14Zn4?
How many polymorphs of Na2O12Rb14Zn4 are known?
What elements does Na2O12Rb14Zn4 contain?
Where does the data for Na2O12Rb14Zn4 come from?
How It Compares
As a unique multi-component oxide, Na2O12Rb14Zn4 serves as a specialized example of how alkali and transition metals can integrate into stable, complex lattices. Without direct structural siblings in this specific class, it stands as an independent reference point for understanding the interplay between large rubidium cations and zinc-oxygen networks in semiconductor design.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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