Mg3W
Mg3W is a metallic magnesium-tungsten compound characterized by significant structural diversity despite its metastable nature.
About Mg3W
Mg3W is a metallic intermetallic compound composed of magnesium and tungsten. As a metallic system, it exhibits characteristic electronic behavior associated with its elemental constituents, though it is currently understood to exist in a metastable state relative to its ground-state phases. Despite its thermodynamic instability, the compound is of significant interest in computational materials science due to the high number of structural configurations reported across multiple databases. This structural diversity highlights the complex bonding landscape between magnesium and tungsten.
Key Properties
Cross-validated computational properties for Mg3W, 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.
Reported Structures
Lowest-energy structures reported for Mg3W, 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. |
|---|---|---|---|---|---|
| Pmm2 (No. 25) | orthorhombic | 0.00 | 0.4481 | -15.521 | 5.63 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 5.19 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.54 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.48 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.50 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.65 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.76 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.59 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.78 |
| Pm (No. 6) | Monoclinic | — | — | — | 6.72 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 5.32 |
| R3m (No. 160) | Trigonal | — | — | — | 5.05 |
Applications
Where Mg3W is used.
Frequently Asked Questions
Common questions about Mg3W, answered from cross-validated data.
What is Mg3W?
Mg3W is a metallic magnesium-tungsten compound characterized by significant structural diversity despite its metastable nature.
What is Mg3W used for?
What is the band gap of Mg3W?
Is Mg3W a metal, semiconductor, or insulator?
Is Mg3W thermodynamically stable?
What is the crystal structure of Mg3W?
What is the density of Mg3W?
How many polymorphs of Mg3W are known?
What elements does Mg3W contain?
Where does the data for Mg3W come from?
How It Compares
As a unique binary intermetallic, Mg3W serves as a focal point for studying phase stability and structural polymorphism in magnesium-rich alloys, representing a distinct configuration within the broader landscape of metal-metal compounds.
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).
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