NaAlSiO4
Nepheline · Carnegieite
NaAlSiO4 is a stable, insulating aluminosilicate mineral that plays a key role in both geological formations and the development of advanced ceramic materials.
About Nepheline
NaAlSiO4 is a thermodynamically stable aluminosilicate that serves as a fundamental building block in mineralogy and materials science. Characterized by its wide-band-gap insulating nature, this compound maintains a robust structural framework that has been extensively documented across numerous crystalline arrangements. Its inherent stability makes it a significant subject for studying phase transitions and structural evolution within the zeolite-like family of materials. Beyond its geological prevalence, the compound is valued for its predictable behavior in high-temperature environments, where its insulating properties remain reliable. It is frequently utilized in the synthesis of specialized ceramics and serves as a critical reference point for understanding the thermodynamic landscape of alkali-metal aluminosilicates.
Key Properties
Cross-validated computational properties for Nepheline, 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 NaAlSiO4. 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 NaAlSiO4, 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. |
|---|---|---|---|---|---|
| — | — | 4.91 | 0.0000 | -3.008 | — |
| Pca21 (No. 29) | orthorhombic | 4.60 | 0.0000 | -7.477 | 2.58 |
| P61 (No. 169) | hexagonal | 4.54 | 0.0073 | -7.469 | 2.56 |
| P213 (No. 198) | cubic | 4.62 | 0.0086 | -2.903 | — |
| — | — | 4.71 | 0.0109 | -2.998 | — |
| P213 (No. 198) | cubic | 4.48 | 0.0117 | -7.465 | 2.41 |
| P1 (No. 1) | triclinic | 4.35 | 0.0142 | -7.462 | 2.55 |
| P63 (No. 173) | hexagonal | 4.28 | 0.0145 | -7.462 | 2.51 |
| R3c (No. 161) | trigonal | 3.82 | 0.0262 | -7.450 | 1.77 |
| — | — | 4.24 | 0.0413 | -2.967 | — |
| — | — | 4.57 | 0.0894 | -2.919 | — |
| — | — | 4.03 | 0.1674 | -2.841 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting NaAlSiO4.
Applications
Where Nepheline is used.
Frequently Asked Questions
Common questions about Nepheline, answered from cross-validated data.
What is NaAlSiO4?
NaAlSiO4 is a stable, insulating aluminosilicate mineral that plays a key role in both geological formations and the development of advanced ceramic materials.
What is NaAlSiO4 used for?
What is the band gap of NaAlSiO4?
Is NaAlSiO4 a metal, semiconductor, or insulator?
Is NaAlSiO4 thermodynamically stable?
How many polymorphs of NaAlSiO4 are known?
How is NaAlSiO4 synthesized?
What elements does NaAlSiO4 contain?
Where does the data for NaAlSiO4 come from?
Related Research
How It Compares
Within the aluminosilicates and zeolite frameworks class.
Within the diverse family of aluminosilicates, NaAlSiO4 occupies a distinct position compared to structural relatives like NaAlSi3O8 or KAlSiO4. While many members of this class exhibit complex framework variations, NaAlSiO4 is notable for its position on the convex hull, indicating a high degree of thermodynamic stability that differentiates it from more metastable or highly hydrated phases like Al2H4O9Si2.
Related Compounds
Other Aluminosilicates and Zeolite Frameworks in the database.
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)
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