Hf2Mg
Hf2Mg is a metallic intermetallic compound composed of hafnium and magnesium that exists in a metastable state.
About Hf2Mg
Hf2Mg is a metallic intermetallic phase formed from hafnium and magnesium. As a metallic system, it exhibits characteristic electron delocalization, reflecting the typical bonding behavior found in transition metal-alkaline earth alloys. Its structural complexity is evidenced by the numerous configurations documented across multiple materials databases. The compound is categorized as being above the thermodynamic hull, suggesting that it may be metastable under standard conditions. This positioning makes it a subject of interest for researchers investigating phase formation and the limits of structural stability in binary hafnium-magnesium systems.
Key Properties
Cross-validated computational properties for Hf2Mg, 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 Hf2Mg, 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. |
|---|---|---|---|---|---|
| P42/mnm (No. 136) | tetragonal | 0.00 | 1.3556 | -5.826 | 7.90 |
| Cm (No. 8) | Monoclinic | — | — | — | 9.62 |
| C2/m (No. 12) | Monoclinic | — | — | — | 7.56 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 7.78 |
| C2/m (No. 12) | Monoclinic | — | — | — | 9.45 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.09 |
| P-1 (No. 2) | Triclinic | — | — | — | 9.80 |
| P-1 (No. 2) | Triclinic | — | — | — | 9.51 |
| P1 (No. 1) | Triclinic | — | — | — | 6.03 |
| P-1 (No. 2) | Triclinic | — | — | — | 10.00 |
| C2/m (No. 12) | Monoclinic | — | — | — | 9.29 |
| P1 (No. 1) | Triclinic | — | — | — | 7.72 |
Frequently Asked Questions
Common questions about Hf2Mg, answered from cross-validated data.
What is Hf2Mg?
Hf2Mg is a metallic intermetallic compound composed of hafnium and magnesium that exists in a metastable state.
What is the band gap of Hf2Mg?
Is Hf2Mg a metal, semiconductor, or insulator?
Is Hf2Mg thermodynamically stable?
What is the crystal structure of Hf2Mg?
What is the density of Hf2Mg?
How many polymorphs of Hf2Mg are known?
What elements does Hf2Mg contain?
Where does the data for Hf2Mg come from?
How It Compares
As a binary intermetallic, Hf2Mg represents a specific point in the compositional space of hafnium-magnesium alloys. While it lacks direct structural siblings in this context, it serves as a critical case study for understanding how atomic packing and stoichiometry influence the thermodynamic landscape of refractory 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.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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