HfMgPt2
HfMgPt2 is a thermodynamically stable semiconducting intermetallic compound belonging to the platinum-group alloy catalyst family.
About HfMgPt2
HfMgPt2 is a distinct member of the platinum-group alloy catalyst family, characterized by its stable, semiconducting electronic nature. As a material residing on the convex hull, it exhibits significant thermodynamic stability, making it a compelling subject for researchers investigating robust intermetallic compounds. Its structural complexity is highlighted by multiple reported configurations across major materials databases, suggesting a rich landscape for phase exploration. This compound is primarily evaluated for its potential in advanced catalytic processes where electronic tuning and structural integrity are paramount. By leveraging the interplay between hafnium, magnesium, and platinum, it offers a specialized platform for developing high-performance materials in chemical synthesis and energy conversion technologies.
Key Properties
Cross-validated computational properties for HfMgPt2, aggregated across 4 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of HfMgPt2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for HfMgPt2, 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 | -1.069 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -6.932 | 14.55 |
| — | — | 0.00 | 0.0004 | -1.014 | — |
| Immm (No. 71) | orthorhombic | 0.95 | 2.5396 | -4.393 | 1.12 |
| P4/mmm (No. 123) | tetragonal | — | — | 0.000 | — |
| — | — | — | — | — | — |
Applications
Where HfMgPt2 is used.
Frequently Asked Questions
Common questions about HfMgPt2, answered from cross-validated data.
What is HfMgPt2?
HfMgPt2 is a thermodynamically stable semiconducting intermetallic compound belonging to the platinum-group alloy catalyst family.
What is HfMgPt2 used for?
What is the band gap of HfMgPt2?
Is HfMgPt2 a metal, semiconductor, or insulator?
Is HfMgPt2 thermodynamically stable?
What is the crystal structure of HfMgPt2?
How many polymorphs of HfMgPt2 are known?
What elements does HfMgPt2 contain?
Where does the data for HfMgPt2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the broader class of platinum-group alloys, HfMgPt2 stands out due to its specific semiconducting behavior compared to the more metallic or superconducting characteristics often found in siblings like P3Ru or BaPd. While many members of this group are studied for their high conductivity, HfMgPt2 provides a unique electronic profile that bridges the gap between traditional intermetallic catalysts and specialized semiconductors.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)
Analyze HfMgPt2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →