C2O14Si2Y4
This compound is a complex yttrium silicon carbonate mineral. It is primarily studied for its structural properties within the field of inorganic chemistry and mineralogy.
COSiY
Overview
Key Properties
Cross-validated computational properties for C2O14Si2Y4, 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.
4.79 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.
0.000 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.
On hull (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, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for C2O14Si2Y4, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 4.79 | 0.0000 | -8.949 | 4.23 |
| No. 0 | unknown | — | — | — | 2.21 |
| P-1 (No. 2) | — | — | — | — | — |
Uses
Applications
Where C2O14Si2Y4 is used.
Materials science researchGeological studiesCrystallographic analysis
Reference
Frequently Asked Questions
Common questions about C2O14Si2Y4, answered from cross-validated data.
What is C2O14Si2Y4?
This compound is a complex yttrium silicon carbonate mineral. It is primarily studied for its structural properties within the field of inorganic chemistry and mineralogy.
More questions
What is C2O14Si2Y4 used for?
C2O14Si2Y4 is used in materials science research, geological studies, and crystallographic analysis.
What is the band gap of C2O14Si2Y4?
C2O14Si2Y4 has a DFT-computed band gap of 4.79 eV across 3 reported structures.
Is C2O14Si2Y4 a metal, semiconductor, or insulator?
With a wide band gap up to 4.79 eV it is an insulator / wide-band-gap material.
Is C2O14Si2Y4 thermodynamically stable?
Yes — C2O14Si2Y4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of C2O14Si2Y4?
The lowest-energy reported polymorph of C2O14Si2Y4 is triclinic symmetry, space group P-1 (No. 2).
What is the density of C2O14Si2Y4?
The computed density of the ground-state structure of C2O14Si2Y4 is 4.23 g/cm³.
How many polymorphs of C2O14Si2Y4 are known?
3 structures of C2O14Si2Y4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does C2O14Si2Y4 contain?
C2O14Si2Y4 contains C, O, Si, and Y (4 elements).
Where does the data for C2O14Si2Y4 come from?
C2O14Si2Y4 data is cross-referenced from materials_project, cod, aflow.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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