RuPt
RuPt has a DFT band gap of Metallic / not reported across 131 reported structures in 22 space groups; its lowest-energy polymorph is tetragonal (P4/mmm (No. 123)). Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for RuPt, aggregated across 3 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.
0.076 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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
131
3 databases, 22 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for RuPt, 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. |
|---|---|---|---|---|---|
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0758 | -38.380 | 16.65 |
| P-1 (No. 2) | Triclinic | — | — | — | 10.38 |
| C2/m (No. 12) | Monoclinic | — | — | — | 16.03 |
| P2/m (No. 10) | Monoclinic | — | — | — | 10.35 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 14.11 |
| C2/m (No. 12) | Monoclinic | — | — | — | 13.35 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 11.79 |
| P1 (No. 1) | Triclinic | — | — | — | 12.74 |
| Cm (No. 8) | Monoclinic | — | — | — | 14.64 |
| P-1 (No. 2) | Triclinic | — | — | — | 19.14 |
| P21/m (No. 11) | Monoclinic | — | — | — | 13.80 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.30 |
Reference
Frequently Asked Questions
Common questions about RuPt, answered from cross-validated data.
What is the band gap of RuPt?
RuPt is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is RuPt a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is RuPt thermodynamically stable?
RuPt has a lowest energy above hull of 0.076 eV/atom (metastable).
What is the crystal structure of RuPt?
The lowest-energy reported polymorph of RuPt is tetragonal symmetry, space group P4/mmm (No. 123).
What is the density of RuPt?
The computed density of the ground-state structure of RuPt is 16.65 g/cm³.
How many polymorphs of RuPt are known?
131 structures of RuPt are reported across 3 databases, spanning 22 distinct space groups.
What elements does RuPt contain?
RuPt contains Pt and Ru (2 elements).
Where does the data for RuPt come from?
RuPt data is cross-referenced from materials_project, mpaloe, jarvis.
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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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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