NaMgSb
NaMgSb is a thermodynamically stable semiconducting ternary compound known for its well-defined structural characteristics.
About NaMgSb
NaMgSb is a ternary compound that occupies a stable position on the thermodynamic convex hull, indicating significant structural robustness. As a semiconducting material, it offers unique electronic properties that make it a subject of interest for fundamental solid-state research and potential electronic applications.
With multiple reported structures across various databases, this material is well-documented within the scientific community. Its composition of sodium, magnesium, and antimony allows for diverse coordination environments, facilitating its role as a stable candidate for exploring complex semiconducting behavior.
Key Properties
Cross-validated computational properties for NaMgSb, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of NaMgSb. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for NaMgSb, 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. |
|---|---|---|---|---|---|
| P4/nmm (No. 129) | tetragonal | 1.17 | 0.0000 | -0.575 | — |
| — | — | 1.09 | 0.0000 | -0.557 | — |
| P4/nmm (No. 129) | tetragonal | 1.04 | 0.0000 | -2.924 | 3.41 |
| — | — | 1.28 | 0.0069 | -0.550 | — |
| — | — | 1.28 | 0.0720 | -0.485 | — |
| — | — | 1.07 | 0.1761 | -0.381 | — |
| — | — | 0.00 | 0.5192 | -0.038 | — |
| P4/nmm (No. 129) | tetragonal | — | — | — | 3.39 |
| P4/nmm (No. 129) | tetragonal | — | — | — | 3.35 |
| P4/nmm (No. 129) | tetragonal | — | — | — | 3.42 |
| P4/nmm (No. 129) | tetragonal | — | — | — | 3.42 |
Applications
Where NaMgSb is used.
Frequently Asked Questions
Common questions about NaMgSb, answered from cross-validated data.
What is NaMgSb?
NaMgSb is a thermodynamically stable semiconducting ternary compound known for its well-defined structural characteristics.
What is NaMgSb used for?
What is the band gap of NaMgSb?
Is NaMgSb a metal, semiconductor, or insulator?
Is NaMgSb thermodynamically stable?
What is the crystal structure of NaMgSb?
How many polymorphs of NaMgSb are known?
What elements does NaMgSb contain?
Where does the data for NaMgSb come from?
How It Compares
As a distinct ternary phase, NaMgSb serves as a representative example of stable semiconducting intermetallics, providing a baseline for understanding how alkali and alkaline earth metals interact with pnictogens to form ordered, thermodynamically favorable crystal lattices.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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