Ca16N32Si16
Ca16N32Si16 is a stable, wide-gap insulating nitride semiconductor composed of calcium, nitrogen, and silicon.
About Ca16N32Si16
Ca16N32Si16 is a complex nitride semiconductor characterized by its wide-band-gap electronic structure. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration within the calcium-silicon-nitrogen system.
This material is of significant interest in materials science due to its insulating properties and structural complexity. It serves as a specialized subject for researchers investigating the diverse electronic and optical potentials inherent in multi-element nitride frameworks.
Key Properties
Cross-validated computational properties for Ca16N32Si16, aggregated across 4 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 Ca16N32Si16, 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. |
|---|---|---|---|---|---|
| Pbca (No. 61) | orthorhombic | 3.51 | 0.0000 | -7.432 | 3.30 |
| Cmce (No. 64) | orthorhombic | 2.20 | 0.0506 | -7.381 | 3.11 |
| — | — | — | — | — | 3.24 |
| Pbca (No. 61) | — | — | — | — | — |
| Pbca (No. 61) | orthorhombic | — | — | — | 0.41 |
Applications
Where Ca16N32Si16 is used.
Frequently Asked Questions
Common questions about Ca16N32Si16, answered from cross-validated data.
What is Ca16N32Si16?
Ca16N32Si16 is a stable, wide-gap insulating nitride semiconductor composed of calcium, nitrogen, and silicon.
What is Ca16N32Si16 used for?
What is the band gap of Ca16N32Si16?
Is Ca16N32Si16 a metal, semiconductor, or insulator?
Is Ca16N32Si16 thermodynamically stable?
What is the crystal structure of Ca16N32Si16?
What is the density of Ca16N32Si16?
How many polymorphs of Ca16N32Si16 are known?
What elements does Ca16N32Si16 contain?
Where does the data for Ca16N32Si16 come from?
How It Compares
Within the nitride semiconductors class.
While traditional nitride semiconductors like GaN and AlN are widely utilized for their optoelectronic properties, Ca16N32Si16 offers a distinct structural architecture compared to simpler binary nitrides like BN or InN. Its stability and unique composition set it apart from the more common group-III nitrides, positioning it as a specialized candidate for fundamental studies in complex semiconductor systems.
Related Compounds
Other Nitride Semiconductors in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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