NaGe
NaGe is a thermodynamically stable semiconducting compound composed of sodium and germanium.
About NaGe
NaGe is a thermodynamically stable inorganic compound that exists on the convex hull, indicating a robust structural arrangement. As a semiconductor, it occupies a unique position in materials research, offering specific electronic characteristics that distinguish it from simple metallic or insulating phases. Its stability suggests potential for integration into complex material systems where structural integrity is paramount. The compound has been the subject of significant investigation, with numerous reported structures documented across major databases, highlighting its importance in the study of sodium-germanium binary systems. These structural variations provide a rich landscape for understanding how atomic arrangements influence the electronic behavior of the material.
Key Properties
Cross-validated computational properties for NaGe, 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 NaGe. 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 NaGe, 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. |
|---|---|---|---|---|---|
| — | — | 0.79 | 0.0000 | -0.216 | — |
| P21/c (No. 14) | monoclinic | 0.67 | 0.0000 | -8.933 | 3.19 |
| P21/m (No. 11) | monoclinic | 0.00 | 0.0000 | -0.196 | — |
| — | — | 0.00 | 0.2038 | -0.013 | — |
| — | — | 0.00 | 0.2912 | 0.075 | — |
| — | — | 0.00 | 0.2934 | 0.077 | — |
| — | — | 0.00 | 0.3024 | 0.086 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.4784 | 0.282 | — |
| — | — | 0.00 | 0.6891 | 0.473 | — |
| — | — | 0.00 | 1.1125 | 0.896 | — |
| C2/m (No. 12) | monoclinic | — | — | — | 1.79 |
| C2/m (No. 12) | monoclinic | — | — | — | 1.58 |
Applications
Where NaGe is used.
Frequently Asked Questions
Common questions about NaGe, answered from cross-validated data.
What is NaGe?
NaGe is a thermodynamically stable semiconducting compound composed of sodium and germanium.
What is NaGe used for?
What is the band gap of NaGe?
Is NaGe a metal, semiconductor, or insulator?
Is NaGe thermodynamically stable?
What is the crystal structure of NaGe?
What is the density of NaGe?
How many polymorphs of NaGe are known?
What elements does NaGe contain?
Where does the data for NaGe come from?
How It Compares
As a standalone entry in this context, NaGe represents a fundamental binary phase within the sodium-germanium system. Its position on the convex hull marks it as a baseline for stability, serving as a critical reference point for researchers investigating the broader landscape of semiconducting intermetallic compounds.
Data sources & attribution
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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