Pt2Sc2
This intermetallic compound consists of platinum and scandium. It is primarily studied in materials science research for its structural properties and potential behavior in specialized alloy systems.
Overview
Key Properties
Cross-validated computational properties for Pt2Sc2, aggregated across 5 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.
Metallic / not reported
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)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
36
5 databases, 15 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Pt2Sc2, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -7.429 | 11.20 |
| R-3m (No. 166) | — | — | — | — | — |
| Pmma (No. 51) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
| Pmmn (No. 59) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| I41/amd (No. 141) | — | — | — | — | — |
| Pmmn (No. 59) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
Uses
Applications
Where Pt2Sc2 is used.
Materials science researchFundamental solid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about Pt2Sc2, answered from cross-validated data.
What is Pt2Sc2?
This intermetallic compound consists of platinum and scandium. It is primarily studied in materials science research for its structural properties and potential behavior in specialized alloy systems.
More questions
What is Pt2Sc2 used for?
Pt2Sc2 is used in materials science research and fundamental solid-state chemistry studies.
What is the band gap of Pt2Sc2?
Pt2Sc2 is computed to be metallic (no band gap) in the reported DFT structures.
Is Pt2Sc2 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Pt2Sc2 thermodynamically stable?
Yes — Pt2Sc2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Pt2Sc2?
The lowest-energy reported polymorph of Pt2Sc2 is cubic symmetry, space group Pm-3m (No. 221).
What is the density of Pt2Sc2?
The computed density of the ground-state structure of Pt2Sc2 is 11.20 g/cm³.
How many polymorphs of Pt2Sc2 are known?
36 structures of Pt2Sc2 are reported across 5 databases, spanning 15 distinct space groups.
What elements does Pt2Sc2 contain?
Pt2Sc2 contains Pt and Sc (2 elements).
Where does the data for Pt2Sc2 come from?
Pt2Sc2 data is cross-referenced from materials_project, aflow, nomad, cod, omat24.
Explore
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- 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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