OsSc2Tl
OsSc2Tl is a semimetallic ternary compound containing osmium, scandium, and thallium that is currently the subject of theoretical structural investigation.
About OsSc2Tl
OsSc2Tl is a complex ternary compound composed of osmium, scandium, and thallium. Its electronic structure exhibits semimetallic behavior, characterized by a near-zero gap that suggests unique charge carrier dynamics within its lattice framework.
This material is primarily of interest in fundamental condensed matter studies. Due to its position above the thermodynamic hull, it is considered likely unstable, which presents significant challenges for experimental synthesis and long-term structural characterization.
Key Properties
Cross-validated computational properties for OsSc2Tl, 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 OsSc2Tl, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.10 | 2.6198 | -4.225 | 0.70 |
| — | — | — | — | — | 9.73 |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where OsSc2Tl is used.
Frequently Asked Questions
Common questions about OsSc2Tl, answered from cross-validated data.
What is OsSc2Tl?
OsSc2Tl is a semimetallic ternary compound containing osmium, scandium, and thallium that is currently the subject of theoretical structural investigation.
What is OsSc2Tl used for?
What is the band gap of OsSc2Tl?
Is OsSc2Tl a metal, semiconductor, or insulator?
Is OsSc2Tl thermodynamically stable?
What is the crystal structure of OsSc2Tl?
What is the density of OsSc2Tl?
How many polymorphs of OsSc2Tl are known?
What elements does OsSc2Tl contain?
Where does the data for OsSc2Tl come from?
How It Compares
As a unique ternary phase, OsSc2Tl represents a specialized case in materials discovery. Without close structural siblings to compare against, its behavior is defined by the interplay of its heavy transition metal and rare-earth components, which dictate its complex and potentially metastable nature.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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