Na3BiO4
Sodium bismuthate is an inorganic oxide compound containing sodium, bismuth, and oxygen. It is primarily utilized in solid-state chemistry research and as a precursor for the synthesis of more complex bismuth-based materials.
BiNaO
Overview
Key Properties
Cross-validated computational properties for Na3BiO4, 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.
0.62–0.97 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
10
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Na3BiO4, 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. |
|---|---|---|---|---|---|
| P2/c (No. 13) | monoclinic | 0.97 | 0.0000 | -5.182 | 5.50 |
| Cmmm (No. 65) | orthorhombic | 0.62 | 0.0363 | -5.146 | 5.24 |
| P2/c (No. 13) | Monoclinic | — | — | — | 5.18 |
| P2/c (No. 13) | Monoclinic | — | — | — | 5.49 |
| P2/c (No. 13) | — | — | — | — | — |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 5.24 |
| P2/c (No. 13) | Monoclinic | — | — | — | 5.39 |
| Cmmm (No. 65) | — | — | — | — | — |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 5.54 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 5.44 |
Uses
Applications
Where Na3BiO4 is used.
Solid-state chemistry researchPrecursor for material synthesis
Reference
Frequently Asked Questions
Common questions about Na3BiO4, answered from cross-validated data.
What is Na3BiO4?
Sodium bismuthate is an inorganic oxide compound containing sodium, bismuth, and oxygen. It is primarily utilized in solid-state chemistry research and as a precursor for the synthesis of more complex bismuth-based materials.
More questions
What is Na3BiO4 used for?
Na3BiO4 is used in solid-state chemistry research and precursor for material synthesis.
What is the band gap of Na3BiO4?
Na3BiO4 has a DFT-computed band gap of 0.62–0.97 eV across 10 reported structures.
Is Na3BiO4 a metal, semiconductor, or insulator?
With a band gap up to 0.97 eV it is a semiconductor.
Is Na3BiO4 thermodynamically stable?
Yes — Na3BiO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Na3BiO4?
The lowest-energy reported polymorph of Na3BiO4 is monoclinic symmetry, space group P2/c (No. 13).
What is the density of Na3BiO4?
The computed density of the ground-state structure of Na3BiO4 is 5.50 g/cm³.
How many polymorphs of Na3BiO4 are known?
10 structures of Na3BiO4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Na3BiO4 contain?
Na3BiO4 contains Bi, Na, and O (3 elements).
Where does the data for Na3BiO4 come from?
Na3BiO4 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).
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