NaMgBO3
NaMgBO3 is a wide-band-gap insulating borate compound that is considered thermodynamically stable and a viable candidate for experimental synthesis.
About NaMgBO3
NaMgBO3 is an insulating borate compound composed of sodium, magnesium, boron, and oxygen. As a wide-band-gap material, it exhibits electronic properties characteristic of stable dielectric or optical solids that do not conduct electricity under standard conditions. Its structure is defined by the arrangement of these elements into a crystalline framework that maintains high thermodynamic stability.
Because it sits near the convex hull of stability, this compound is a compelling candidate for experimental synthesis and structural characterization. It represents a specific stoichiometry within the broader landscape of complex borate oxides, serving as a foundational material for exploring new inorganic phases with potential applications in optical or electronic technologies.
Key Properties
Cross-validated computational properties for NaMgBO3, 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 NaMgBO3, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 3.59 | 0.0057 | -6.828 | 2.84 |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.91 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.84 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.97 |
Applications
Where NaMgBO3 is used.
Frequently Asked Questions
Common questions about NaMgBO3, answered from cross-validated data.
What is NaMgBO3?
NaMgBO3 is a wide-band-gap insulating borate compound that is considered thermodynamically stable and a viable candidate for experimental synthesis.
What is NaMgBO3 used for?
What is the band gap of NaMgBO3?
Is NaMgBO3 a metal, semiconductor, or insulator?
Is NaMgBO3 thermodynamically stable?
What is the crystal structure of NaMgBO3?
What is the density of NaMgBO3?
How many polymorphs of NaMgBO3 are known?
What elements does NaMgBO3 contain?
Where does the data for NaMgBO3 come from?
How It Compares
As a unique inorganic borate, NaMgBO3 serves as a distinct representative of its class, offering a specific structural composition that distinguishes it from more common binary or ternary oxides. Its status as a near-hull phase highlights its importance as a target for materials discovery, positioning it as a viable subject for laboratory synthesis and further exploration of its physical properties.
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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