Au1Ca2Pt1
This intermetallic compound is composed of gold, calcium, and platinum. It is primarily studied by materials scientists for its structural properties and potential behavior in specialized solid-state research.
Overview
Key Properties
Cross-validated computational properties for Au1Ca2Pt1, aggregated across 2 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.
0.11 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.
29
2 databases, 15 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Au1Ca2Pt1, 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. |
|---|---|---|---|---|---|
| Amm2 (No. 38) | orthorhombic | 0.00 | 0.0000 | -29.964 | 8.16 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0201 | -29.944 | 8.60 |
| Immm (No. 71) | orthorhombic | 0.11 | 1.5088 | -28.456 | 0.69 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Uses
Applications
Where Au1Ca2Pt1 is used.
Materials science researchSolid-state physics studies
Reference
Frequently Asked Questions
Common questions about Au1Ca2Pt1, answered from cross-validated data.
What is Au1Ca2Pt1?
This intermetallic compound is composed of gold, calcium, and platinum. It is primarily studied by materials scientists for its structural properties and potential behavior in specialized solid-state research.
More questions
What is Au1Ca2Pt1 used for?
Au1Ca2Pt1 is used in materials science research and solid-state physics studies.
What is the band gap of Au1Ca2Pt1?
Au1Ca2Pt1 has a DFT-computed band gap of 0.11 eV across 29 reported structures.
Is Au1Ca2Pt1 a metal, semiconductor, or insulator?
With a band gap up to 0.11 eV it is a semiconductor.
Is Au1Ca2Pt1 thermodynamically stable?
Yes — Au1Ca2Pt1 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Au1Ca2Pt1?
The lowest-energy reported polymorph of Au1Ca2Pt1 is orthorhombic symmetry, space group Amm2 (No. 38).
What is the density of Au1Ca2Pt1?
The computed density of the ground-state structure of Au1Ca2Pt1 is 8.16 g/cm³.
How many polymorphs of Au1Ca2Pt1 are known?
29 structures of Au1Ca2Pt1 are reported across 2 databases, spanning 15 distinct space groups.
What elements does Au1Ca2Pt1 contain?
Au1Ca2Pt1 contains Au, Ca, and Pt (3 elements).
Where does the data for Au1Ca2Pt1 come from?
Au1Ca2Pt1 data is cross-referenced from materials_project, aflow.
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).
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