Se2Sr1Y1
This compound is a ternary selenide containing strontium and yttrium. It is primarily studied in materials science research for its structural properties and potential electronic characteristics in solid-state chemistry.
SeSrY
Overview
Key Properties
Cross-validated computational properties for Se2Sr1Y1, aggregated across 2 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.
1.46 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.
27
2 databases, 14 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Se2Sr1Y1, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 1.46 | 0.0000 | -18.413 | 4.97 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
Uses
Applications
Where Se2Sr1Y1 is used.
Solid-state researchMaterials science experimentation
Reference
Frequently Asked Questions
Common questions about Se2Sr1Y1, answered from cross-validated data.
What is Se2Sr1Y1?
This compound is a ternary selenide containing strontium and yttrium. It is primarily studied in materials science research for its structural properties and potential electronic characteristics in solid-state chemistry.
More questions
What is Se2Sr1Y1 used for?
Se2Sr1Y1 is used in solid-state research and materials science experimentation.
What is the band gap of Se2Sr1Y1?
Se2Sr1Y1 has a DFT-computed band gap of 1.46 eV across 27 reported structures.
Is Se2Sr1Y1 a metal, semiconductor, or insulator?
With a band gap up to 1.46 eV it is a semiconductor.
Is Se2Sr1Y1 thermodynamically stable?
Yes — Se2Sr1Y1 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Se2Sr1Y1?
The lowest-energy reported polymorph of Se2Sr1Y1 is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of Se2Sr1Y1?
The computed density of the ground-state structure of Se2Sr1Y1 is 4.97 g/cm³.
How many polymorphs of Se2Sr1Y1 are known?
27 structures of Se2Sr1Y1 are reported across 2 databases, spanning 14 distinct space groups.
What elements does Se2Sr1Y1 contain?
Se2Sr1Y1 contains Se, Sr, and Y (3 elements).
Where does the data for Se2Sr1Y1 come from?
Se2Sr1Y1 data is cross-referenced from materials_project, aflow.
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).
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