Be2Pt1Ti1
Be2Pt1Ti1 is a semiconducting ternary alloy composed of beryllium, platinum, and titanium that is considered a promising candidate for catalytic research.
About Be2Pt1Ti1
Be2Pt1Ti1 is a complex ternary alloy within the platinum-group catalyst family. Characterized by its semiconducting electronic structure, this material represents a unique intersection of light-element beryllium with heavy transition metals, offering a distinct electronic environment for surface reactions.
As a near-hull compound, it occupies a favorable position in the thermodynamic landscape, suggesting it is a viable candidate for experimental synthesis. Its structural diversity, evidenced by multiple reported configurations, highlights its potential utility in advanced catalytic processes where precise electronic tuning is required.
Key Properties
Cross-validated computational properties for Be2Pt1Ti1, 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.
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 Be2Pt1Ti1, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0153 | -5.936 | 9.31 |
| Immm (No. 71) | orthorhombic | 0.23 | 3.1168 | -2.835 | 0.78 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Amm2 (No. 38) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
Applications
Where Be2Pt1Ti1 is used.
Frequently Asked Questions
Common questions about Be2Pt1Ti1, answered from cross-validated data.
What is Be2Pt1Ti1?
Be2Pt1Ti1 is a semiconducting ternary alloy composed of beryllium, platinum, and titanium that is considered a promising candidate for catalytic research.
What is Be2Pt1Ti1 used for?
What is the band gap of Be2Pt1Ti1?
Is Be2Pt1Ti1 a metal, semiconductor, or insulator?
Is Be2Pt1Ti1 thermodynamically stable?
What is the crystal structure of Be2Pt1Ti1?
What is the density of Be2Pt1Ti1?
How many polymorphs of Be2Pt1Ti1 are known?
What elements does Be2Pt1Ti1 contain?
Where does the data for Be2Pt1Ti1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the broader class of platinum-group alloys, Be2Pt1Ti1 distinguishes itself from compounds like As2Pt or BaPd through its specific ternary composition and semiconducting nature. While many members of this class are metallic, the electronic character of Be2Pt1Ti1 positions it as a specialized alternative for applications where traditional metallic conductors may not provide the necessary surface reactivity or selectivity.
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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