Na4Bi2O5
Na4Bi2O5 is a semiconducting sodium bismuth oxide that is thermodynamically stable enough to be considered a target for laboratory synthesis.
About Na4Bi2O5
Na4Bi2O5 is a semiconducting oxide compound composed of sodium and bismuth. Its electronic properties and structural configuration make it an intriguing subject for materials science investigations into complex ternary oxides. The compound is categorized as near-hull, indicating that it is thermodynamically close to the stable ground state. This stability profile suggests that it is a viable target for experimental synthesis and potential functional applications in electronic or chemical systems.
Key Properties
Cross-validated computational properties for Na4Bi2O5, 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 Na4Bi2O5, 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 | 2.16 | 0.0138 | -5.143 | 5.78 |
| P21/c (No. 14) | monoclinic | 2.69 | 0.0655 | -5.092 | 5.03 |
| Pnna (No. 52) | orthorhombic | 2.53 | 0.0895 | -5.068 | 4.74 |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 5.45 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.72 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.59 |
Applications
Where Na4Bi2O5 is used.
Frequently Asked Questions
Common questions about Na4Bi2O5, answered from cross-validated data.
What is Na4Bi2O5?
Na4Bi2O5 is a semiconducting sodium bismuth oxide that is thermodynamically stable enough to be considered a target for laboratory synthesis.
What is Na4Bi2O5 used for?
What is the band gap of Na4Bi2O5?
Is Na4Bi2O5 a metal, semiconductor, or insulator?
Is Na4Bi2O5 thermodynamically stable?
What is the crystal structure of Na4Bi2O5?
What is the density of Na4Bi2O5?
How many polymorphs of Na4Bi2O5 are known?
What elements does Na4Bi2O5 contain?
Where does the data for Na4Bi2O5 come from?
How It Compares
As a standalone member in this specific compositional space, Na4Bi2O5 serves as a critical reference point for understanding the interplay between alkali metals and heavy p-block elements in oxide frameworks. Its position near the thermodynamic hull highlights its importance as a benchmark for exploring the stability limits of sodium-bismuth-oxygen phases.
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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