Se20Sr4Th8
This is a complex quaternary chalcogenide compound containing strontium, thorium, and selenium. It is primarily studied in academic research settings to explore the structural properties and electronic behaviors of actinide-based materials.
SeSrTh
Overview
Key Properties
Cross-validated computational properties for Se20Sr4Th8, 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.
1.48 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
4
4 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Se20Sr4Th8, 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 | 1.48 | 0.0000 | -31.346 | 7.11 |
| P21/c (No. 14) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.84 |
| — | — | — | — | — | 5.92 |
Uses
Applications
Where Se20Sr4Th8 is used.
Solid-state chemistry researchMaterials science explorationActinide coordination chemistry studies
Reference
Frequently Asked Questions
Common questions about Se20Sr4Th8, answered from cross-validated data.
What is Se20Sr4Th8?
This is a complex quaternary chalcogenide compound containing strontium, thorium, and selenium. It is primarily studied in academic research settings to explore the structural properties and electronic behaviors of actinide-based materials.
What is Se20Sr4Th8 used for?
Se20Sr4Th8 is used in solid-state chemistry research, materials science exploration, and actinide coordination chemistry studies.
What is the band gap of Se20Sr4Th8?
Se20Sr4Th8 has a DFT-computed band gap of 1.48 eV across 4 reported structures.
Is Se20Sr4Th8 a metal, semiconductor, or insulator?
With a band gap up to 1.48 eV it is a semiconductor.
Is Se20Sr4Th8 thermodynamically stable?
Yes — Se20Sr4Th8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Se20Sr4Th8?
The lowest-energy reported polymorph of Se20Sr4Th8 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Se20Sr4Th8?
The computed density of the ground-state structure of Se20Sr4Th8 is 7.11 g/cm³.
How many polymorphs of Se20Sr4Th8 are known?
4 structures of Se20Sr4Th8 are reported across 4 databases, spanning 2 distinct space groups.
What elements does Se20Sr4Th8 contain?
Se20Sr4Th8 contains Se, Sr, and Th (3 elements).
Where does the data for Se20Sr4Th8 come from?
Se20Sr4Th8 data is cross-referenced from materials_project, aflow, cod, omat24.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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