Mg1Ru2V1
This is a ternary intermetallic compound composed of magnesium, ruthenium, and vanadium. It is primarily studied in materials science research for its structural properties and potential behavior in specialized alloy systems.
Overview
Key Properties
Cross-validated computational properties for Mg1Ru2V1, 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.
0.13 eV
Range across DFT structures
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)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
28
2 databases, 17 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Mg1Ru2V1, 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 | -7.489 | 8.32 |
| Immm (No. 71) | orthorhombic | 0.13 | 2.9929 | -4.496 | 0.46 |
| P4mm (No. 99) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
Uses
Applications
Where Mg1Ru2V1 is used.
Materials science researchFundamental condensed matter physics studies
Reference
Frequently Asked Questions
Common questions about Mg1Ru2V1, answered from cross-validated data.
What is Mg1Ru2V1?
This is a ternary intermetallic compound composed of magnesium, ruthenium, and vanadium. It is primarily studied in materials science research for its structural properties and potential behavior in specialized alloy systems.
What is Mg1Ru2V1 used for?
Mg1Ru2V1 is used in materials science research and fundamental condensed matter physics studies.
What is the band gap of Mg1Ru2V1?
Mg1Ru2V1 has a DFT-computed band gap of 0.13 eV across 28 reported structures.
Is Mg1Ru2V1 a metal, semiconductor, or insulator?
With a band gap up to 0.13 eV it is a semiconductor.
Is Mg1Ru2V1 thermodynamically stable?
Yes — Mg1Ru2V1 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Mg1Ru2V1?
The lowest-energy reported polymorph of Mg1Ru2V1 is cubic symmetry, space group Fm-3m (No. 225).
What is the density of Mg1Ru2V1?
The computed density of the ground-state structure of Mg1Ru2V1 is 8.32 g/cm³.
How many polymorphs of Mg1Ru2V1 are known?
28 structures of Mg1Ru2V1 are reported across 2 databases, spanning 17 distinct space groups.
What elements does Mg1Ru2V1 contain?
Mg1Ru2V1 contains Mg, Ru, and V (3 elements).
Where does the data for Mg1Ru2V1 come from?
Mg1Ru2V1 data is cross-referenced from materials_project, aflow.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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