YN3O10
This compound is an inorganic salt consisting of yttrium, nitrogen, and oxygen. It is primarily studied in the context of advanced materials research and solid-state chemistry.
NOY
Overview
Key Properties
Cross-validated computational properties for YN3O10, 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.
0.14 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.
0.163 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.
Above hull
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for YN3O10, 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 | 0.14 | 0.1632 | -6.969 | 2.51 |
| No. 0 | unknown | — | — | — | 1.28 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.51 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.61 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.54 |
Uses
Applications
Where YN3O10 is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about YN3O10, answered from cross-validated data.
What is YN3O10?
This compound is an inorganic salt consisting of yttrium, nitrogen, and oxygen. It is primarily studied in the context of advanced materials research and solid-state chemistry.
What is YN3O10 used for?
YN3O10 is used in materials science research and solid-state chemistry studies.
What is the band gap of YN3O10?
YN3O10 has a DFT-computed band gap of 0.14 eV across 5 reported structures.
Is YN3O10 a metal, semiconductor, or insulator?
With a band gap up to 0.14 eV it is a semiconductor.
Is YN3O10 thermodynamically stable?
YN3O10 has a lowest energy above hull of 0.163 eV/atom (above hull).
What is the crystal structure of YN3O10?
The lowest-energy reported polymorph of YN3O10 is triclinic symmetry, space group P-1 (No. 2).
What is the density of YN3O10?
The computed density of the ground-state structure of YN3O10 is 2.51 g/cm³.
How many polymorphs of YN3O10 are known?
5 structures of YN3O10 are reported across 3 databases, spanning 2 distinct space groups.
What elements does YN3O10 contain?
YN3O10 contains N, O, and Y (3 elements).
Where does the data for YN3O10 come from?
YN3O10 data is cross-referenced from materials_project, cod, mpaloe.
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).
- mpaloe — Data from mpaloe.
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