Nd16O56Si16
Nd16O56Si16 is a thermodynamically stable, insulating neodymium silicate compound.
About Nd16O56Si16
Nd16O56Si16 is a complex inorganic compound composed of neodymium, oxygen, and silicon. As a thermodynamically stable phase located on the convex hull, it represents a robust structural configuration within its chemical system.
Characterized as a wide-band-gap insulator, this material possesses electronic properties typical of stable oxide-silicate frameworks. Its structural integrity makes it a subject of interest for researchers investigating high-performance dielectric or ceramic materials.
Key Properties
Cross-validated computational properties for Nd16O56Si16, 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.
Reported Structures
Lowest-energy structures reported for Nd16O56Si16, 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. |
|---|---|---|---|---|---|
| P41 (No. 76) | tetragonal | 5.02 | 0.0000 | -8.611 | 5.45 |
| P212121 (No. 19) | orthorhombic | 5.24 | 0.0033 | -8.608 | 5.10 |
| P21/c (No. 14) | monoclinic | 4.78 | 0.0056 | -8.605 | 5.38 |
| No. 0 | unknown | — | — | — | 1.24 |
| — | — | — | — | — | 4.94 |
Applications
Where Nd16O56Si16 is used.
Frequently Asked Questions
Common questions about Nd16O56Si16, answered from cross-validated data.
What is Nd16O56Si16?
Nd16O56Si16 is a thermodynamically stable, insulating neodymium silicate compound.
What is Nd16O56Si16 used for?
What is the band gap of Nd16O56Si16?
Is Nd16O56Si16 a metal, semiconductor, or insulator?
Is Nd16O56Si16 thermodynamically stable?
What is the crystal structure of Nd16O56Si16?
What is the density of Nd16O56Si16?
How many polymorphs of Nd16O56Si16 are known?
What elements does Nd16O56Si16 contain?
Where does the data for Nd16O56Si16 come from?
How It Compares
As a unique phase within its chemical system, Nd16O56Si16 serves as a stable reference point for understanding the interplay between rare-earth elements and silicate networks. Unlike less stable configurations, its position on the convex hull suggests a favorable energetic state that warrants further investigation for specialized material applications.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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