Be2Li1Pt1
Be2Li1Pt1 is a thermodynamically stable, semiconducting intermetallic alloy composed of beryllium, lithium, and platinum.
About Be2Li1Pt1
Be2Li1Pt1 is a distinct member of the platinum-group alloy catalyst family, characterized by its unique semiconducting electronic structure. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of beryllium, lithium, and platinum atoms that maintains structural integrity under standard conditions. Its discovery adds to the growing library of complex intermetallic compounds being investigated for specialized chemical reactivity. The material is primarily of interest to researchers exploring how light elements like beryllium and lithium can modulate the catalytic performance of precious metals. By tuning the electronic environment of the platinum center, this compound offers a pathway to developing highly specific catalytic surfaces for industrial chemical synthesis.
Key Properties
Cross-validated computational properties for Be2Li1Pt1, 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 Be2Li1Pt1, 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 | 0.0000 | -4.374 | 8.62 |
| Immm (No. 71) | orthorhombic | 0.40 | 2.2787 | -2.096 | 0.64 |
| P2/m (No. 10) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Be2Li1Pt1 is used.
Frequently Asked Questions
Common questions about Be2Li1Pt1, answered from cross-validated data.
What is Be2Li1Pt1?
Be2Li1Pt1 is a thermodynamically stable, semiconducting intermetallic alloy composed of beryllium, lithium, and platinum.
What is Be2Li1Pt1 used for?
What is the band gap of Be2Li1Pt1?
Is Be2Li1Pt1 a metal, semiconductor, or insulator?
Is Be2Li1Pt1 thermodynamically stable?
What is the crystal structure of Be2Li1Pt1?
What is the density of Be2Li1Pt1?
How many polymorphs of Be2Li1Pt1 are known?
What elements does Be2Li1Pt1 contain?
Where does the data for Be2Li1Pt1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloys, Be2Li1Pt1 stands out for its inclusion of light-element components compared to heavier intermetallics like As2Pt or BaPd. While many members of this class, such as IrSe2 or Ga2Ru, are frequently studied for their metallic conductivity, Be2Li1Pt1 is notable for its semiconducting nature, positioning it as a unique candidate for applications where electronic band structure control is essential for catalytic efficiency.
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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