C4Ga4N20Sr16
This complex inorganic compound is a quaternary material containing strontium, gallium, nitrogen, and carbon. It is primarily utilized in advanced materials research for exploring novel crystal structures and electronic properties in solid-state chemistry.
CGaNSr
Overview
Key Properties
Cross-validated computational properties for C4Ga4N20Sr16, 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.
1.45 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.
0.009 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.
Near hull (likely stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for C4Ga4N20Sr16, 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 | 1.45 | 0.0091 | -12.467 | 4.42 |
| P21/c (No. 14) | — | — | — | — | — |
| P21/c (No. 14) | monoclinic | — | — | — | 1.13 |
Uses
Applications
Where C4Ga4N20Sr16 is used.
Solid-state materials researchCrystal structure analysisAdvanced inorganic synthesis
Reference
Frequently Asked Questions
Common questions about C4Ga4N20Sr16, answered from cross-validated data.
What is C4Ga4N20Sr16?
This complex inorganic compound is a quaternary material containing strontium, gallium, nitrogen, and carbon. It is primarily utilized in advanced materials research for exploring novel crystal structures and electronic properties in solid-state chemistry.
What is C4Ga4N20Sr16 used for?
C4Ga4N20Sr16 is used in solid-state materials research, crystal structure analysis, and advanced inorganic synthesis.
What is the band gap of C4Ga4N20Sr16?
C4Ga4N20Sr16 has a DFT-computed band gap of 1.45 eV across 3 reported structures.
Is C4Ga4N20Sr16 a metal, semiconductor, or insulator?
With a band gap up to 1.45 eV it is a semiconductor.
Is C4Ga4N20Sr16 thermodynamically stable?
C4Ga4N20Sr16 has a lowest energy above hull of 0.009 eV/atom (near hull (likely stable)).
What is the crystal structure of C4Ga4N20Sr16?
The lowest-energy reported polymorph of C4Ga4N20Sr16 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of C4Ga4N20Sr16?
The computed density of the ground-state structure of C4Ga4N20Sr16 is 4.42 g/cm³.
How many polymorphs of C4Ga4N20Sr16 are known?
3 structures of C4Ga4N20Sr16 are reported across 3 databases, spanning 1 distinct space group.
What elements does C4Ga4N20Sr16 contain?
C4Ga4N20Sr16 contains C, Ga, N, and Sr (4 elements).
Where does the data for C4Ga4N20Sr16 come from?
C4Ga4N20Sr16 data is cross-referenced from materials_project, aflow, cod.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- 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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