Se20Th8
Se20Th8 is a stable semiconducting thorium selenide compound used in solid-state materials research.
About Se20Th8
Se20Th8 is a thorium-based selenide that exhibits a semiconducting electronic character. As a thermodynamically stable compound residing on the convex hull, it represents a well-defined phase within the thorium-selenium binary system.
This material is of interest for fundamental studies in actinide chemistry and solid-state physics. Its structural stability makes it a reliable subject for investigating the interaction between heavy metal cations and chalcogenide anions in complex lattice arrangements.
Key Properties
Cross-validated computational properties for Se20Th8, 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Se20Th8, 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. |
|---|---|---|---|---|---|
| Pbcn (No. 60) | orthorhombic | 0.52 | 0.0000 | -32.996 | 8.26 |
| — | — | — | — | — | 8.22 |
| Pbcn (No. 60) | — | — | — | — | — |
Applications
Where Se20Th8 is used.
Frequently Asked Questions
Common questions about Se20Th8, answered from cross-validated data.
What is Se20Th8?
Se20Th8 is a stable semiconducting thorium selenide compound used in solid-state materials research.
What is Se20Th8 used for?
What is the band gap of Se20Th8?
Is Se20Th8 a metal, semiconductor, or insulator?
Is Se20Th8 thermodynamically stable?
What is the crystal structure of Se20Th8?
What is the density of Se20Th8?
How many polymorphs of Se20Th8 are known?
What elements does Se20Th8 contain?
Where does the data for Se20Th8 come from?
How It Compares
As a unique thorium selenide phase, Se20Th8 serves as an important reference point for understanding the structural diversity of actinide-chalcogenide systems. It occupies a distinct position in the phase space of thorium-selenium compounds, offering insights into how stoichiometry influences the electronic and thermodynamic properties of these heavy-element semiconductors.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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