MgPt3
This intermetallic compound is composed of magnesium and platinum. It is primarily studied in materials science research for its structural properties and potential roles in advanced catalytic or electronic applications.
Overview
Key Properties
Cross-validated computational properties for MgPt3, aggregated across 5 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.
Metallic / not reported
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)
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
9
5 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for MgPt3, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -5.531 | 16.66 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pm-3m (No. 221) | Cubic | — | — | — | 16.21 |
| Pm-3m (No. 221) | Cubic | — | — | — | 17.52 |
| Pm-3m (No. 221) | Cubic | — | — | — | 16.66 |
| Pm-3m (No. 221) | — | — | — | — | — |
| — | — | — | — | — | 16.09 |
Uses
Applications
Where MgPt3 is used.
Materials science researchCatalysis studiesSolid-state physics investigations
Reference
Frequently Asked Questions
Common questions about MgPt3, answered from cross-validated data.
What is MgPt3?
This intermetallic compound is composed of magnesium and platinum. It is primarily studied in materials science research for its structural properties and potential roles in advanced catalytic or electronic applications.
More questions
What is MgPt3 used for?
MgPt3 is used in materials science research, catalysis studies, and solid-state physics investigations.
What is the band gap of MgPt3?
MgPt3 is computed to be metallic (no band gap) in the reported DFT structures.
Is MgPt3 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is MgPt3 thermodynamically stable?
Yes — MgPt3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of MgPt3?
The lowest-energy reported polymorph of MgPt3 is cubic symmetry, space group Pm-3m (No. 221).
What is the density of MgPt3?
The computed density of the ground-state structure of MgPt3 is 16.66 g/cm³.
How many polymorphs of MgPt3 are known?
9 structures of MgPt3 are reported across 5 databases, spanning 1 distinct space group.
What elements does MgPt3 contain?
MgPt3 contains Mg and Pt (2 elements).
Where does the data for MgPt3 come from?
MgPt3 data is cross-referenced from materials_project, nomad, jarvis, mpaloe, omat24.
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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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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