CrSc2Tl
This compound is a ternary intermetallic material composed of chromium, scandium, and thallium. It is primarily studied in the context of solid-state physics and materials science research to understand its structural and electronic properties.
Key Properties
Cross-validated computational properties for CrSc2Tl, 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.
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 CrSc2Tl, 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 | 0.07 | 2.6919 | -20.257 | 0.45 |
| F-43m (No. 216) | — | — | — | — | — |
| — | — | — | — | — | — |
| — | — | — | — | — | 6.69 |
Applications
Where CrSc2Tl is used.
Frequently Asked Questions
Common questions about CrSc2Tl, answered from cross-validated data.
What is CrSc2Tl?
This compound is a ternary intermetallic material composed of chromium, scandium, and thallium. It is primarily studied in the context of solid-state physics and materials science research to understand its structural and electronic properties.
What is CrSc2Tl used for?
What is the band gap of CrSc2Tl?
Is CrSc2Tl a metal, semiconductor, or insulator?
Is CrSc2Tl thermodynamically stable?
What is the crystal structure of CrSc2Tl?
What is the density of CrSc2Tl?
How many polymorphs of CrSc2Tl are known?
What elements does CrSc2Tl contain?
Where does the data for CrSc2Tl come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- alexandria — Data from alexandria.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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