Hf1Mg1Ni2
Hf1Mg1Ni2 is a semiconducting ternary compound containing hafnium, magnesium, and nickel that is currently categorized as a metastable phase.
About Hf1Mg1Ni2
Hf1Mg1Ni2 is a complex ternary compound composed of hafnium, magnesium, and nickel. Its electronic character is defined as semiconducting, which distinguishes it from purely metallic intermetallic phases often found in similar elemental combinations. The material is characterized by its position above the thermodynamic hull, suggesting it is likely unstable under standard conditions. Despite this, it has been the subject of significant structural investigation, with numerous reported configurations across scientific databases.
Key Properties
Cross-validated computational properties for Hf1Mg1Ni2, 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.
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 Hf1Mg1Ni2, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.66 | 2.6239 | -3.562 | 0.83 |
| F-43m (No. 216) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Hf1Mg1Ni2, answered from cross-validated data.
What is Hf1Mg1Ni2?
Hf1Mg1Ni2 is a semiconducting ternary compound containing hafnium, magnesium, and nickel that is currently categorized as a metastable phase.
What is the band gap of Hf1Mg1Ni2?
Is Hf1Mg1Ni2 a metal, semiconductor, or insulator?
Is Hf1Mg1Ni2 thermodynamically stable?
What is the crystal structure of Hf1Mg1Ni2?
What is the density of Hf1Mg1Ni2?
How many polymorphs of Hf1Mg1Ni2 are known?
What elements does Hf1Mg1Ni2 contain?
Where does the data for Hf1Mg1Ni2 come from?
How It Compares
As an unclassified ternary compound, Hf1Mg1Ni2 represents a unique structural study within the broader landscape of hafnium-magnesium-nickel systems. While many related intermetallics exhibit metallic conductivity, this compound is notable for its semiconducting behavior, positioning it as a distinct, albeit potentially metastable, entry in the catalog of complex inorganic materials.
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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