Mg2Rh
This intermetallic compound is composed of magnesium and rhodium. It is primarily studied for its structural properties and potential roles in advanced materials research.
Overview
Key Properties
Cross-validated computational properties for Mg2Rh, 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.
25
5 databases, 7 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Mg2Rh, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0000 | -3.944 | 4.95 |
| P1 (No. 1) | Triclinic | — | — | — | 2.33 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 4.98 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 5.07 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 4.84 |
| — | — | — | — | — | 4.83 |
| — | — | — | — | — | 4.83 |
| — | — | — | — | — | 4.83 |
| C2/m (No. 12) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 4.13 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.88 |
Uses
Applications
Where Mg2Rh is used.
Materials science researchIntermetallic alloy studies
Reference
Frequently Asked Questions
Common questions about Mg2Rh, answered from cross-validated data.
What is Mg2Rh?
This intermetallic compound is composed of magnesium and rhodium. It is primarily studied for its structural properties and potential roles in advanced materials research.
More questions
What is Mg2Rh used for?
Mg2Rh is used in materials science research and intermetallic alloy studies.
What is the band gap of Mg2Rh?
Mg2Rh is computed to be metallic (no band gap) in the reported DFT structures.
Is Mg2Rh a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Mg2Rh thermodynamically stable?
Yes — Mg2Rh sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Mg2Rh?
The lowest-energy reported polymorph of Mg2Rh is tetragonal symmetry, space group I4/mmm (No. 139).
What is the density of Mg2Rh?
The computed density of the ground-state structure of Mg2Rh is 4.95 g/cm³.
How many polymorphs of Mg2Rh are known?
25 structures of Mg2Rh are reported across 5 databases, spanning 7 distinct space groups.
What elements does Mg2Rh contain?
Mg2Rh contains Mg and Rh (2 elements).
Where does the data for Mg2Rh come from?
Mg2Rh data is cross-referenced from materials_project, mpaloe, omat24, nomad, jarvis.
Explore
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.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- 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).
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