NaGe
Sodium germanide is an intermetallic compound composed of sodium and germanium. It is primarily studied in materials science for its structural properties and potential roles in advanced battery technologies and semiconductor research.
GeNa
Overview
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.
0.67 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.
36
3 databases, 10 space groups
Crystallography
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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.67 | 0.0000 | -8.933 | 3.19 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 3.92 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.36 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.23 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.72 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.44 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.44 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.92 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.91 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.91 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.32 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.47 |
Uses
Applications
Where NaGe is used.
Battery electrode researchSemiconductor material studiesSolid-state chemistry research
Reference
Frequently Asked Questions
Common questions about NaGe, answered from cross-validated data.
What is NaGe?
Sodium germanide is an intermetallic compound composed of sodium and germanium. It is primarily studied in materials science for its structural properties and potential roles in advanced battery technologies and semiconductor research.
More questions
What is NaGe used for?
NaGe is used in battery electrode research, semiconductor material studies, and solid-state chemistry research.
What is the band gap of NaGe?
NaGe has a DFT-computed band gap of 0.67 eV across 36 reported structures.
Is NaGe a metal, semiconductor, or insulator?
With a band gap up to 0.67 eV it is a semiconductor.
Is NaGe thermodynamically stable?
Yes — NaGe sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of NaGe?
The lowest-energy reported polymorph of NaGe is monoclinic symmetry, space group P21/c (No. 14).
What is the density of NaGe?
The computed density of the ground-state structure of NaGe is 3.19 g/cm³.
How many polymorphs of NaGe are known?
36 structures of NaGe are reported across 3 databases, spanning 10 distinct space groups.
What elements does NaGe contain?
NaGe contains Ge and Na (2 elements).
Where does the data for NaGe come from?
NaGe data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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