NaGeNO
NaGeNO has a DFT band gap of 0.35–3.38 eV across 47 reported structures in 0 space groups. Cross-validated across 1 computational databases.
Key Properties
Cross-validated computational properties for NaGeNO, aggregated across 1 database.
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 NaGeNO. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (oqmd) reports a hull energy for NaGeNO, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for NaGeNO, 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. |
|---|---|---|---|---|---|
| — | — | 3.18 | 0.0000 | -1.226 | — |
| — | — | 3.23 | 0.0070 | -1.219 | — |
| — | — | 3.38 | 0.0135 | -1.212 | — |
| — | — | 2.71 | 0.0518 | -1.174 | — |
| — | — | 2.27 | 0.1147 | -1.111 | — |
| — | — | 2.60 | 0.1652 | -1.060 | — |
| — | — | 1.98 | 0.1669 | -1.059 | — |
| — | — | 2.10 | 0.1679 | -1.058 | — |
| — | — | 2.10 | 0.1685 | -1.057 | — |
| — | — | 2.10 | 0.1714 | -1.054 | — |
| — | — | 1.98 | 0.1742 | -1.051 | — |
| — | — | 2.10 | 0.1744 | -1.051 | — |
Frequently Asked Questions
Common questions about NaGeNO, answered from cross-validated data.
What is the band gap of NaGeNO?
NaGeNO has a DFT-computed band gap of 0.35–3.38 eV across 47 reported structures. Standard DFT underestimates band gaps, so the measured gap is typically larger.
Is NaGeNO a metal, semiconductor, or insulator?
Is NaGeNO thermodynamically stable?
How many polymorphs of NaGeNO are known?
What elements does NaGeNO contain?
Where does the data for NaGeNO come from?
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)
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