Na3BrO
Na3BrO is a thermodynamically stable, semiconducting inorganic compound containing sodium, bromine, and oxygen.
About Na3BrO
Na3BrO is a distinct inorganic compound composed of sodium, bromine, and oxygen. As a thermodynamically stable material residing on the convex hull, it represents a robust configuration within its chemical space, making it a subject of interest for researchers investigating complex ionic lattices. Its semiconducting electronic character suggests potential utility in specialized electronic or optoelectronic applications where specific charge transport properties are required. The material has been documented across multiple structural databases, reflecting its significance in computational materials discovery. By providing a stable framework for these elements, Na3BrO serves as a valuable case study for understanding the interplay between alkali metal halides and oxides.
Key Properties
Cross-validated computational properties for Na3BrO, 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 Na3BrO, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 1.88 | 0.0000 | -3.738 | 2.94 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pm-3m (No. 221) | Cubic | — | — | — | 2.91 |
| Pm-3m (No. 221) | Cubic | — | — | — | 2.81 |
| Pm-3m (No. 221) | Cubic | — | — | — | 2.88 |
| Pm-3m (No. 221) | — | — | — | — | — |
Applications
Where Na3BrO is used.
Frequently Asked Questions
Common questions about Na3BrO, answered from cross-validated data.
What is Na3BrO?
Na3BrO is a thermodynamically stable, semiconducting inorganic compound containing sodium, bromine, and oxygen.
What is Na3BrO used for?
What is the band gap of Na3BrO?
Is Na3BrO a metal, semiconductor, or insulator?
Is Na3BrO thermodynamically stable?
What is the crystal structure of Na3BrO?
What is the density of Na3BrO?
How many polymorphs of Na3BrO are known?
What elements does Na3BrO contain?
Where does the data for Na3BrO come from?
How It Compares
As a unique compound within its chemical class, Na3BrO stands out due to its confirmed thermodynamic stability and semiconducting nature. Unlike many transient or metastable phases, its position on the convex hull indicates a favorable energy state that makes it a reliable candidate for further experimental synthesis and characterization.
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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