Pt1Sb1Si1
This is a ternary intermetallic compound composed of platinum, antimony, and silicon. It is primarily studied by researchers investigating the structural and electronic properties of complex metallic systems.
Overview
Key Properties
Cross-validated computational properties for Pt1Sb1Si1, 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.
0.21 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)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
11
3 databases, 6 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Pt1Sb1Si1, 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. |
|---|---|---|---|---|---|
| Pbca (No. 61) | orthorhombic | 0.21 | 0.0000 | -29.183 | 9.79 |
| F-43m (No. 216) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| P3m1 (No. 156) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| Fmm2 (No. 42) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P3m1 (No. 156) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.26 |
Uses
Applications
Where Pt1Sb1Si1 is used.
Materials science researchSolid-state physics studies
Reference
Frequently Asked Questions
Common questions about Pt1Sb1Si1, answered from cross-validated data.
What is Pt1Sb1Si1?
This is a ternary intermetallic compound composed of platinum, antimony, and silicon. It is primarily studied by researchers investigating the structural and electronic properties of complex metallic systems.
More questions
What is Pt1Sb1Si1 used for?
Pt1Sb1Si1 is used in materials science research and solid-state physics studies.
What is the band gap of Pt1Sb1Si1?
Pt1Sb1Si1 has a DFT-computed band gap of 0.21 eV across 11 reported structures.
Is Pt1Sb1Si1 a metal, semiconductor, or insulator?
With a band gap up to 0.21 eV it is a semiconductor.
Is Pt1Sb1Si1 thermodynamically stable?
Yes — Pt1Sb1Si1 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Pt1Sb1Si1?
The lowest-energy reported polymorph of Pt1Sb1Si1 is orthorhombic symmetry, space group Pbca (No. 61).
What is the density of Pt1Sb1Si1?
The computed density of the ground-state structure of Pt1Sb1Si1 is 9.79 g/cm³.
How many polymorphs of Pt1Sb1Si1 are known?
11 structures of Pt1Sb1Si1 are reported across 3 databases, spanning 6 distinct space groups.
What elements does Pt1Sb1Si1 contain?
Pt1Sb1Si1 contains Pt, Sb, and Si (3 elements).
Where does the data for Pt1Sb1Si1 come from?
Pt1Sb1Si1 data is cross-referenced from materials_project, aflow, cod.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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